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50 results on '"Xu-Liang Nie"'

1. Synthesis, Crystal Structure, Spectral Characterization and Antifungal Activity of Novel Phenolic Acid Triazole Derivatives

Author

Pan-Lei Xiao, Xiu-Ying Song, Xin-Ting Xiong, Da-Yong Peng, and Xu-Liang Nie

Subjects
phenolic acid triazole derivatives, synthesis, crystal structure, spectral characterization, antifungal activity, Organic chemistry, QD241-441
Abstract

At present, phenolic acid derivatives and triazole derivatives have a good antifungal effect, which has attracted widespread attention. A series of novel phenolic acid triazole derivatives were synthesized, and their structures were characterized by IR, MS, NMR, and X-ray crystal diffraction. Compound methyl 4-(2-bromoethoxy)benzoate, methyl 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)benzoate, 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)benzoic acid and 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)-3-methoxybenzoic acid crystallize in the monoclinic system with space group P21/n, the monoclinic system with space group P21, the monoclinic system with space group P21 and the orthorhombic system with space group Pca21, respectively. At a concentration of 100 μg/mL and 200 μg/mL, the antifungal activity against seven plant pathogen fungi was determined. Compound methyl 4-(2-bromoethoxy)benzoate has the best inhibitory effect on Rhizoctonia solani AG1, and the inhibitory rate reached 88.6% at 200 μg/mL. The inhibitory rates of compound methyl 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)benzoate against Fusarium moniliforme and Sphaeropsis sapinea at a concentration of 200 μg/mL were 76.1% and 75.4%, respectively, which were better than that of carbendazim.

Published
2023
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2. PREPARATION, STRUCTURE AND PROPERTIES OF A NOVEL ONE-DIMENSIONAL ERBIUM (III) COMPLEX.

Author

Ting PENG, Xiao-Yong CHEN, Ting-Qun QIU, Jia-Liang FAN, Li-Yong HUANG, Xiu-Guang YI, and Xu-Liang NIE

Subjects
ERBIUM, DIFFERENTIAL scanning calorimetry, SPACE groups, CRYSTAL structure, SINGLE crystals
Abstract

A novel one-dimensional erbium complex [ErL2(NO3)(H2O)2]n (HL = 2-picolinic acid) was synthesized by hydrothermal methods, and its crystal structure was determined by single crystal x-ray diffraction. The complex crystallize in monoclinic system, space group C2/c with a = 15.7525(5) Å, b = 11.4958(4) Å, c = 9.7977(3) Å, β = 102.862(3) °, V = 1729.72(10) Å 3, C12H10ErN309, Mr = 507.49, Z = 4, Dc = 1.949 g⋅cm-3, F(000) = 972, μ = 4.901 mm-1, S = 1.119, λ(MoKα) = 0.071073 nm, R = 0.0239 and wR = 0.0668. The 2-picolinic acid ligand adopts bidentate bridging coordination mode to connect adjacent erbium ions to form a one-dimensional chain structure. A series of properties of the complex were measured by solid-state photoluminescence, solid-state diffuse reflection and differential scanning calorimetry. [ABSTRACT FROM AUTHOR]

Published
2024
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3. Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4

Author

Yao-Hong Zhou, Da-Yong Peng, Wan-Ming Xiong, Xu-Liang Nie, and Xiao-hua Zhang

Subjects
Crystallography, 010405 organic chemistry, Chemistry, Butane, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, QD901-999, General Materials Science
Abstract

C32H56F24N8P4, triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 8.6769(13) Å, b = 9.8858(14) Å, c = 14.510(2) Å, α = 102.564(2)°, β = 94.461(3)°, γ = 92.152(3)°, V = 81.710(2) Å3, Z = 1, R gt (F) = 0.0692, wR ref (F 2) = 0.2245, T = 296(2) K.

Published
2021

4. Crystal structure of methyl (E)-3-(4-acetoxyphenyl)acrylate, C12H12O4

Author

Jun Peng, Jia Gu, Xu-Liang Nie, Xiu-Ying Song, and Gui-Shu Wang

Subjects
Inorganic Chemistry, Acrylate, chemistry.chemical_compound, chemistry, Polymer chemistry, General Materials Science, Crystal structure, Condensed Matter Physics
Abstract

C12H12O4, monoclinic, P21/c (no. 14), a = 16.071(6) Å, b = 9.424(4) Å, c = 7.640(3) Å, β = 101.861(5)°, V = 1132.4(8) Å3, Z = 4, R gt (F) = 0.0366, wR ref (F 2) = 0.1043, T = 296(2) K.

Published
2021

5. Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5

Author

Pan-Lei Xiao, Xu-Liang Nie, Xiu-Ying Song, Chen-Yu Yang, and Yi-Hua Wang

Subjects
Inorganic Chemistry, Crystallography, Chemistry, General Materials Science, Crystal structure, Condensed Matter Physics
Abstract

C11H12O5, orthorhombic, P212121 (no. 19), a = 5.5523(7) Å, b = 12.7610(17) Å, c = 15.374(2) Å, V = 1089.3(2) Å3, Z = 4, R gt (F) = 0.0273, wR ref (F 2) = 0.0787, T = 296(2) K.

Published
2021

6. Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C 26 H 21 Cl 2 F 3 N 4 O

Author

Wen-Wen Peng, Yuan-Zhen Xiong, Xu-Liang Nie, Jian-Ping Huang, and Shu-Fen Fang

Subjects
0301 basic medicine, Inorganic Chemistry, 03 medical and health sciences, 030104 developmental biology, 0302 clinical medicine, Quinazolin-4-one, Chemistry, 030220 oncology & carcinogenesis, General Materials Science, Crystal structure, Condensed Matter Physics, Medicinal chemistry
Abstract

C26H21Cl2F3N4O, monoclinic, Pc (no. 7), a = 21.218(6) Å, b = 5.9599(16) Å, c = 9.439(3) Å, β = 99.295(3)°, V = 1177.9(5) Å3, Z = 2, R gt (F) = 0.0471, wR ref (F 2) = 0.1282, T = 296(2) K.

Published
2021

7. Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C12H14O6

Author

Chun-Lan Xiong, Ying-Dong Lan, Xu-Liang Nie, Xiu-Ying Song, and Wan-Ming Xiong

Subjects
Crystallography, 010405 organic chemistry, Chemistry, Crystal structure, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, 03 medical and health sciences, 0302 clinical medicine, QD901-999, 030220 oncology & carcinogenesis, General Materials Science
Abstract

C12H14O6, orthorhombic, Pbca (no. 61), a = 18.0207(13) Å, b = 7.6885(5) Å, c = 18.2326(13) Å, V = 2526.2(3) Å3, Z = 8, Rgt (F) = 0.0411, wRref (F 2) = 0.1214, T = 296(2) K.

Published
2021

8. Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8

Author

Ying-Dong Lan, Wan-Ming Xiong, Cui-Xin Huang, Xu-Liang Nie, and Chun-Lan Xiong

Subjects
Indazole, Cadmium, Crystallography, 010405 organic chemistry, chemistry.chemical_element, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, QD901-999, Polymer chemistry, General Materials Science, Carboxylate
Abstract

C16H18CdN4O8, monoclinic, P21/c (no. 14), a = 6.2751(4) Å, b = 21.7902(13) Å, c = 13.3401(8) Å, β = 90.793(1)°, V = 1823.89(19) Å3, Z = 4, R gt (F) = 0.0252, wR ref (F 2) = 0.0603, T = 296(2) K.

Published
2021

9. Synthesis and Crystal Structure of Chalcone Derivatives and Their Effect on α-Glucosidase

Author

En Yuan, Da-Yong Peng, Zhong-Ping Yin, Liu Jia, Meng Wang, Ping Lin, Xinchen Shangguan, and Xu-Liang Nie

Subjects
Chalcone, Chemistry, α glucosidase, General Chemistry, Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Crystal, chemistry.chemical_compound, Crystallography, Proton NMR, Organometallic chemistry
Abstract

Five chalcone derivatives (E)-1-(2-(2-bromoethoxy)phenyl)-3-phenylprop-2-en-1-one(1), (E)-1-(2-(3-bromopropoxy)phenyl)-3-phenylprop-2-en-1-one(2),(E)-1-(2-(4-bromopropoxy)phenyl)-3-phenylprop-2-en-1-one(3),(E)-1-(2-(5-bromopropoxy)phenyl)-3-phenylprop-2-en-1-one(4),(E)-1-(2-(6-bromopropoxy)phenyl)-3-phenylprop-2-en-1-one(5) were synthesized and characterized by 1H NMR, HRMS. The crystalline structures of compounds 4 and 5 were further characterized by X-ray crystal diffraction. Among the five compounds, 1 and 2 showed inhibitory activity on α-glucosidase, but 4 and 5 increased the activity of α-glucosidase. Five chalcone derivatives were synthesized and characterized by 1H MNR and HRMS. The crystalline structures of two compounds were further characterized by X-ray crystal diffraction. Two of the compounds have the ability to inhibit α-glucosidase, and two different compounds have the ability to promote α-glucosidase.

Published
2020

10. Synthesis, Crystal Structure and Inhibitory Activities of 2-(N-Tert-Butoxycarbonylamino)Pyridine Derivatives

Author

Bao-Tong Li, Ming-Yu Zhao, Xu-Liang Nie, Xugen Shi, Yun-Lian Shi, Da-Yong Peng, Ming-Zhu Shi, Tao Huang, and Xue-Xiang Ren

Subjects
Pyricularia, biology, Chemistry, Stereochemistry, Biological activity, General Chemistry, Crystal structure, Carbon-13 NMR, 010402 general chemistry, 010403 inorganic & nuclear chemistry, Condensed Matter Physics, Alternaria, biology.organism_classification, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Crystallography, Pyridine, Proton NMR, Organometallic chemistry
Abstract

2-(N-tert-butoxycarbonylamino) pyridine and 2-(N-tert-butoxycarbonylamino)-3-methylpyridine were synthesized in a one-step method using either 2-aminopyridine or 2-amino-3-methyphyridine with tert-butylcarbonyl anhydride as the starting materials. The products were characterized by single-crystal X-ray diffraction, 1H NMR, 13C NMR, and HRMS. The biological activity of the two compounds against five fungi was determined. 2-(N-tert-butoxycarbonylamino) pyridine has more than 50% inhibitory activity against Pyricularia oryzae, Colletotrichum gloeosporioides, and Alternaria alternate. In addition, the inhibitory activity of 2-(N-tert-butoxycarbonylamino)-3-methylpyridine against Alternaria alternate reached 67.69%. Two 2-BOC aminopyridine derivatives were synthesized and structurally characterized by 1H NMR, 13C NMR, HRMS analysis and X-ray crystal diffraction. The inhibitory activity both compounds was studied.

Published
2020

12. Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C15H13F2NO4

Author

Guo-Ping Huang, Zhang Chunyan, Xu-Liang Nie, Jian-Ping Huang, and Yuan-Zhen Xiong

Subjects
chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Carboxylic acid, Quinoline, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Alkoxy group, General Materials Science
Abstract

C15H13F2NO4, monoclinic, P21/n (no. 14), a = 5.1342(10) Å, b = 9.6478(18) Å, c = 27.192(5) Å, β = 95.42°, V = 1340.9(4) Å3, Z = 4, R gt (F) = 0.0434, wR ref (F 2) = 0.1197, T = 296(2) K.

Published
2021

13. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P

Author

Xu-Liang Nie, Ting Huang, Wan-Ming Xiong, Jing Chen, and Sheng Liao

Subjects
Inorganic Chemistry, 010405 organic chemistry, Chemistry, Polymer chemistry, Alkoxy group, General Materials Science, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences
Abstract

[C9H13F6N2O2P], monoclinic, P21/c (no. 14), a = 6.5994(13) Å, b = 10.754(2) Å, c = 19.754(4) Å, β = 96.267(2)°, V = 1393.6(5) Å3, Z = 4, R gt(F) = 0.0674, wR ref(F 2) = 0.2124, T = 296(2) K.

Published
2020

14. Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C18H16O8

Author

Cui-Xin Huang, Xu-Liang Nie, Jia Gu, Jin-Zhu Chen, and Yan-Ling Zheng

Subjects
Crystallography, 010405 organic chemistry, Crystal structure, 010502 geochemistry & geophysics, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, 4-Hydroxybenzoic acid, chemistry, QD901-999, General Materials Science, 0105 earth and related environmental sciences
Abstract

C18H16O8, monoclinic, P21/c (no. 14), a = 5.3210(8) Å, b = 5.1825(8) Å, c = 29.598(5) Å, β = 93.875(2)°, V = 814.3(2) Å3, Z = 2, R gt(F) = 0.0340, wR ref(F 2) = 0.1011, T = 296(2) K.

Published
2020

15. Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4

Author

Xu-Liang Nie, Jian-Ping Huang, Zou Liuhong, Lei Zhao, and Guo-Ping Huang

Subjects
chemistry.chemical_classification, Crystallography, 010405 organic chemistry, Carboxylic acid, Quinoline, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, QD901-999, General Materials Science
Abstract

C18H12ClF2NO4, monoclinic, P21/c (no. 14), a = 13.544(5) Å, b = 9.344(3) Å, c = 13.545(5) Å, β = 109.86°, V = 1612.4(10) Å3, Z = 4, R gt(F) = 0.0393, wR ref(F 2) = 0.1058, T = 296(2) K.

Published
2020

16. Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4

Author

Xu-Liang Nie, Jia Gu, Chun-Mei Guo, Xiu-Ying Song, and Mi-Na Wang

Subjects
Inorganic Chemistry, 010404 medicinal & biomolecular chemistry, chemistry.chemical_compound, 4-Hydroxybenzoic acid, chemistry, Polymer chemistry, General Materials Science, Crystal structure, 010502 geochemistry & geophysics, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, 0105 earth and related environmental sciences
Abstract

[C16H12O4], monoclinic, P21/n (no. 14), a = 13.760(5) Å, b = 4.9003(18) Å, c = 19.125(7) Å, β = 101.331(5)°, V = 1264.5(8) Å3, Z = 4, R gt(F) = 0.0383, wR ref(F 2) = 0.1072, T = 296(2) K.

Published
2020

17. Crystal structure of 1,1′-methylenebis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate(V)), C11H18F12N4P2

Author

Xu-Liang Nie, Wan-Ming Xiong, Chen Jing, Yao-Hong Zhou, Wen Zhao, and Jing Chen

Subjects
Crystallography, Crystal structure, 010502 geochemistry & geophysics, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, Inorganic Chemistry, chemistry.chemical_compound, chemistry, QD901-999, Hexafluorophosphate, General Materials Science, 0105 earth and related environmental sciences
Abstract

C11H18F12N4P2, monoclinic, P21/c (no. 14), a = 14.975(3) Å, b = 9.897(2) Å, c = 13.525(3) Å, β = 105.507(3)°, V = 1931.5(7) Å3, Z = 4, R gt(F) = 0.0590, wR ref(F 2) = 0.1843, T = 296(2) K.

Published
2019

18. Crystal structure of 2-((2-(3-hydroxy-7-methylene-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol – a marmesin derivative, C20H24O10

Author

Xu-Liang Nie, Bao-Tong Li, Wen-Wen Peng, Xiao-Xiang Fu, and Yu-Yan Li

Subjects
Crystallography, 010405 organic chemistry, Crystal structure, Condensed Matter Physics, Marmesin, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, 010404 medicinal & biomolecular chemistry, chemistry.chemical_compound, chemistry, Pyran, QD901-999, General Materials Science, Hydroxymethyl, Triol, Methylene, Derivative (chemistry)
Abstract

C20H24O10, orthorhombic, P212121 (no. 19), a = 6.3728(6) Å, b = 14.3835(14) Å, c = 20.453(2) Å, V = 1874.8(3) Å3, Z = 4, R gt(F) = 0.0272, wR ref(F 2) = 0.0558, T = 296(2) K.

Published
2019

19. Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4

Author

Xu-Liang Nie, Jian-Ping Huang, Xiu-Ying Song, Nian-Qian Kang, Ying Huang, and Li Cheng

Subjects
0106 biological sciences, Cadmium, Crystallography, chemistry.chemical_element, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry, QD901-999, General Materials Science, 010606 plant biology & botany
Abstract

C60H74CdCl6N12O4, triclinic, P1̄ (no. 2), a = 9.1036(18) Å, b = 13.197(3) Å, c = 15.035(3) Å, α = 93.716(2)°, β = 99.904(2)°, γ = 104.928(2)°, V = 1708.0(6) Å3, Z = 2, R gt(F) = 0.0258, wR ref(F 2) = 0.0684, T = 296(2) K.

Published
2018

20. Synthesis and Crystal Structures of Complexes of Zinc, Silver, Copper Assembled by Uniconazole

Author

Xiu-Ying Song, Chang-Gan Huang, Lei Gong, Xin-Chen Shang-Guan, and Xu-Liang Nie

Subjects
0106 biological sciences, Chemistry, Hydrogen bond, Intermolecular force, Infrared spectroscopy, General Chemistry, Crystal structure, Triclinic crystal system, 010502 geochemistry & geophysics, Condensed Matter Physics, 01 natural sciences, Crystal, Crystallography, chemistry.chemical_compound, Octahedral molecular geometry, Organometallic chemistry, 010606 plant biology & botany, 0105 earth and related environmental sciences
Abstract

Three coordination polymers [ZnL4Cl2]n(1), [(AgL2·NO3)2]n(2), [CuL4·2NO3]n(3) (L = uniconazole) have been synthesised and structurally characterized by element analysis, infrared spectra and X-ray crystal diffraction. Complex 1 is the triclinic system, space group P-1 with a = 8.9407(10) A, b = 13.2994(15) A, c = 14.9242(17) A, α = 93.8180(10)°, β = 99.0250(10)°, γ = 104.7690(10)°, V = 1684.1(3) A3. Complex 2 is the Triclinic system, space group P-1 with a = 8.997(3) A, b = 16.941(5) A, c = 24.113(7) A, α = 89.182(4)°, β = 86.440(4)°, γ = 86.440(4)°, V = 3483.0(19) A3. Complex 3 is the triclinic system, space group P-1 with a = 8.7387(5) A, b = 13.4087(8) A, c = 15.4353(9) A, α = 87.8870(10)°, β = 80.7150(10)°, γ = 71.3930(10)°, V = 1691.42(17) A3. In 1 and 3, Each six-coordinated Zn(II), Cu(II) ions adopts a distorted octahedral geometry. 1 and 3 was linked into a one dimensional chain by intermolecular hydrogen bonds. But in 2, each Ag(I) ion is two-coordinated in a linear mode. Althought there is many intermolecular hydrogen bonds, but the complex is zero dimensional. Three new coordination polymers [ZnL4Cl2]n(1), [(AgL2·NO3)2]n(2), [CuL4·2NO3]n(3) (L = uniconazole) have been synthesised and structurally characterized by element analysis, infrared spectra and X-ray crystal diffraction.

Published
2017

21. Synthesis and Crystal Structure of Two Cu(II) and Ag(I) Coordination Polymers Assembled by Ozagrel Ligands

Author

Xiu-Ying Song, Chang-Gan Huang, Xin-Chen Shang-Guan, Lei Gong, and Xu-Liang Nie

Subjects
Chemistry, Hydrogen bond, Infrared spectroscopy, General Chemistry, Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Crystal, Crystallography, chemistry.chemical_compound, Powder diffraction, Organometallic chemistry, Monoclinic crystal system, Acrylic acid
Abstract

Two coordination polymers [Ag(HIMPAA)(IMPAA)] n (1), [Cu(HIMPAA)(IMPAA)Cl] n (2), (HIMPAA = (2E)-3-[4-(1H-imidazol-1-ylmethyl)phenyl]acrylic acid) have been synthesised with ozagrel and structurally characterized by element analysis, infrared spectra (IR), PXRD and X-ray crystal diffraction. Complex 1 is the monoclinic system, space group P21/c with a = 10.897(3) A, b = 6.1624(14) A, c = 19.274(4) A, α = 90.00°, β = 113.13°, γ = 90.00°, V = 1190.2(5) A3, Z = 2. In complex 1, the Ag(I) atom is two-coordinated in a linear mode. Intermolecular O–H···O hydrogen bonds links 1 to generate one-dimensional hydrogen bonds chain. Complex 2 is the monoclinic system, space group C2/c with a = 22.742(7) A, b = 13.829(4) A, c = 7.918(2) A, α = 90.00°, β = 97.10°, γ = 90.00°, V = 2471.1(12) A3, Z = 4. In complex 2, four HIMPAA and four Cu(II) ions forms a novel 52-membered macrocycle [Cu4(IMPAA)4]4+. The 52-membered macrocycle is further briged by HIMPAA to form a two-dimensional network. A one-dimensional coordination polymers [Ag(HIMPAA)(IMPAA)] n (1) and a two-dimensional network [Cu(HIMPAA)(IMPAA)Cl] n (2), (HIMPAA = (2E)-3-[4-(1H-imidazol-1-ylmethyl)phenyl] acrylic acid) were synthesised with ozagrel and structurally characterized by element analysis, IR, PXRD and X-ray crystal diffraction.

Published
2016

22. Crystal structure of 3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine, C11H12N4

Author

Bao-Tong Li, Yun-Lian Shi, Da-Yong Peng, Jin-Hui Xie, Xu-Gen Shi, Tao Huang, and Xu-Liang Nie

Subjects
Inorganic Chemistry, 010405 organic chemistry, Chemistry, General Materials Science, Amine gas treating, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences
Abstract

[C11H12N4], triclinic, P1̄, a = 6.6939(10) Å, b = 8.8034(13) Å, c = 9.1140(13) Å, α = 97.749(2)°, β = 99.285(2)%, γ = 95.917(2)°, V = 520.90(13) Å3, Z = 2, R gt(F) = 0.0381, wR ref(F 2) = 0.1030, T = 296(2) K.

Published
2019

23. Synthesis and characterization of diimidazole-based hexafluorophosphate ionic liquids

Author

Xu-Liang Nie, Jing Chen, Wan-Ming Xiong, Xiao-hua Zhang, Wen Zhao, and Ting Huang

Subjects
chemistry.chemical_classification, Materials science, 02 engineering and technology, Crystal structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, Crystallography, chemistry, Hexafluorophosphate, Ionic liquid, Materials Chemistry, Melting point, Imidazole, Thermal stability, Physical and Theoretical Chemistry, Solubility, 0210 nano-technology, Spectroscopy, Alkyl
Abstract

The hexafluorophosphate type ionic liquids, as one kind of functionalized ionic liquids, have a good application prospect in many fields. In this work, a series of diimidazole hexafluorophosphate ionic liquids with different carbon chain lengths (CnDIMF, n = 1, 2, 3, 4, 5, 6) were synthesized and characterized, so as to find the influence of cation on their structure and properties. The results showed that these products are needlelike or lamellar crystals, and their solubility and thermal stability were similar, but there are significantly different in their melting points and crystal structures. They were insoluble in non-polar or weak polar solvents, while have good solubility in polar aprotic solvents. Surprisingly, they could exhibit the temperature-controlled characteristics in methanol and water. These products have a good thermal stability up to 300 °C, and their decomposition temperature also slightly increases from 360 to 395 °C with the increase in the spacer chain length. The melting points of them are above 120 °C, which increased with the decrease of molecular weight if they belong to the same crystal system. Crystallography data showed that two cationic 1-vinylimidazolium were bound to the both sides of alkyl group, and the two imidazole rings were crystallographically dependant plane, and their structure changed from a semi-capsule with a close angle to a linear with a wide angle between the two imidazole rings. The study and determination of these properties, especially the temperature-controlled performance, is interesting and can afford reliable reference for future applications.

Published
2020

24. Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C12H14N4O11

Author

Chun-Mei Guo, Nian-Qian Kang, Xu-Liang Nie, Wan-Ming Xiong, and Xiu-Ying Song

Subjects
chemistry.chemical_classification, Crystallography, Pyrimidine, 010405 organic chemistry, Chemistry, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Dicarboxylic acid, QD901-999, Polymer chemistry, General Materials Science, Hydrate
Abstract

C12H14N4O11, orthorhombic, C2221 (no. 20), a = 4.7425(3) Å, b = 12.5852(9) Å, c = 26.5080(18) Å, V = 1582.14(19) Å3, Z = 4, R gt(F) = 0.0377, wR ref(F 2) = 0.1064, T = 296(2) K.

Published
2017

25. Crystal structure of 2-hydroxy-2-(4-phenoxyphenyl)propanamide, with Z' = 4, C15H15NO3

Author

Da-Yong Peng, Xu-Liang Nie, Xin-Chen Shang-Guan, Xiao Fu, and Zhong-Ping Yin

Subjects
Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, QD901-999, General Materials Science, Crystal structure, Triclinic crystal system, Condensed Matter Physics, Propanamide
Abstract

C15H15NO3, triclinic, P1 (no. 2), a = 10.428(1) A, b = 11.996(1) A, c = 22.421(2) A, & = 82.167(2)°, % = 81.538(2)°, ! = 74.196(2)°, V = 2655.7 A, Z = 8, Rgt(F) = 0.0640, wRref(F ) = 0.1529, T = 298 K.

Published
2014

26. Crystal structure of benzyl-2-oxo-oleanic acid, C37H52O4

Author

Zhong-Ping Yin, Xu-Liang Nie, and Xin-Chen Shang-Guan

Subjects
Inorganic Chemistry, Crystallography, QD901-999, Chemistry, General Materials Science, Orthorhombic crystal system, Crystal structure, Condensed Matter Physics
Abstract

C37H52O4, orthorhombic, P212121 (no. 19), a = 11.1018(9) A, b = 12.434(1) A, c = 22.860(2) A, V = 3155.7 A, Z = 4, Rgt(F) = 0.0351, wRref(F ) = 0.0922, T = 296 K.

Published
2014

27. Crystal structure of methyl (E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate, C14H16O5.

Author

Chun-Mei, Guo, Lu-Yao, Yi, Lei, Pan, Yuan, You, and Xu-Liang, Nie

Subjects
CRYSTAL structure, ACRYLATES
Abstract

C14H16O5, triclinic, P1 (no. 2), a = 8.5293(8) Å, b = 11.5626(11) Å, c = 14.2196(13) Å, α = 88.888(10)°, β = 74.988(10)°, γ = 87.556(10)°, V = 1353.2(2) Å3, Z = 4, Rgt(F) = 0.0430, wRref(F2) = 0.1202, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2021
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28. Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14

Author

Xu-Liang Nie, Xiu-Ying Song, and Zhi-Qiang Xiong

Subjects
Cadmium, Tetrahydrate, Crystallography, 010405 organic chemistry, chemistry.chemical_element, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, QD901-999, Imidazole, General Materials Science
Abstract

C12H22CdN4O14, triclinic, P1̅ (no. 2), a = 7.188(2) Å, b = 8.895(3) Å, c = 9.771(3) Å, α = 63.148(3)°, β = 76.750(3)°, γ = 66.225(3)°, V = 509.2(3) Å3, Z = 1, R gt (F) = 0.0253, wR ref (F 2) = 0.0676, T = 296(2) K.

Published
2016

29. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2.

Author

Ting, Huang, Jin-Zhu, Chen, Xu-Liang, Nie, Jing, Chen, and Wan-Ming, Xiong

Subjects
CRYSTAL structure, PHOSPHATES
Abstract

C18H20F12N4P2, monoclinic, P21/n (no. 14), a = 8.3185(9) Å, b = 21.883(2) Å, c = 13.4345(15) Å, β = 103.4730(10)°, V = 2378.3(5) Å3, Z = 4, Rgt(F) = 0.0470, wRref(F2) = 0.1305, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2021
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32. Crystal structure of 2-oxo-1-(pyrimidin-5-ylmethyl)-3-(3-(trifluoromethyl)phenyl)-1,2-dihydro-5l4-pyrido[1,2-a]pyrimidin-4-olate, C20H13F3N4O2.

Author

Yun-lian, Shi, Tao, Huang, Xu-Liang, Nie, Feng-Rong, Zhang, Da-Yong, Peng, Xu-Gen, Shi, and Bao-Tong, Li

Subjects
ORTHORHOMBIC crystal system, CRYSTAL structure
Abstract

C20H13F3N4O2, triclinic, P1̄ (no. 2), a = 11.3525(10) Å, b = 12.7530(11) Å, c = 13.1926(12) Å, α = 83.894(1)°, β = 69.314(1)°, γ = 84.720(1)°, V = 1773.7(3) Å3, Z = 4, Rgt(F) = 0.0477, wRref(F2) = 0.1433, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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34. Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorido phosphate), C16H28F12N4P2.

Author

Wen, Zhao, Jing, Chen, Wan-Ming, Xiong, Ying-Dong, Lan, and Xu-Liang, Nie

Subjects
CRYSTAL structure, PHOSPHATES
Abstract

C16H28N4 2(F6P), monoclinic, P21/n (no. 14), a = 8.7921(12) Å, b = 16.173(2) Å, c = 9.1376(12) Å, β = 111.13(10)°, V = 1211.1(3) Å3, Z = 2, Rgt(F) = 0.0475, wRref(F2) = 0.1262, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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35. Crystal structure of 1,1′-(ethane-1,2-diyl)bis(3-ethyl-1H-imidazol-3-ium)bis(hexafluorido phosphate), C12H20F12N4P2.

Author

Wan-Ming, Xiong, Yi-Bo, Di, Ying-Dong, Lan, Jing, Chen, Xu-Liang, Nie, and Chang-Gan, Huang

Subjects
CRYSTAL structure, PHOSPHATES, MONOCLINIC crystal system, IMIDAZOLES, ETHER (Anesthetic), INTERMEDIATES (Chemistry)
Abstract

C12H20F12N4P2, monoclinic, P21/c (no. 14), a = 7.012(2) Å, b = 15.507(5) Å, c = 10.398(2) Å, β = 118.945(15)°, Z = 2, V = 989.4(5) Å3, Rgt(F) = 0.0526, wRref(F2) = 0.1537, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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36. Crystal structure of 2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1<italic>H</italic>-1,2,4-triazole-3(2<italic>H</italic>)-thione, C14H15Cl2N3OS.

Author

Tao, Lu, Ping, Lin, Xin-Chen, Shang-guan, Zhong-Ping, Yin, Xu-Liang, Nie, Zhong-Chao, Li, and Da-Yong, Peng

Subjects
CRYSTAL structure, POTASSIUM hydroxide, SULFUR, FUNGICIDES, FUSARIUM, TRIAZOLES, HYDROGEN bonding
Abstract

C14H14Cl2N3OS, monoclinic, P21/n (no. 14), a = 9.9215(8) Å, b = 9.5992(7) Å, c = 16.5801(13) Å, β = 92.702(1)°, V = 1577.3(2) Å3, Z = 4, Rgt(F) = 0.0323, wRref(F2) = 0.0918, T = 296 K. [ABSTRACT FROM AUTHOR]

Published
2018
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37. Crystal structure of (2 RS,3 RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1 H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O.

Author

Wan-Ming, Xiong, Juan-Hua, Kong, Jing, Chen, Jin-Zhu, Chen, and Xu-Liang, Nie

Subjects
CRYSTAL structure, MONOCLINIC crystal system, MOLECULAR crystals, PENTANE, ALIPHATIC hydrocarbons, TRIAZOLES
Abstract

C15H20ClN3O, monoclinic, C2/ c (no. 15), a = 19.300(2) Å, b = 10.8262(11) Å, c = 15.4282(16) Å, β = 100.457(4)°, V = 3170.0(6) Å3, Z = 8, Rgt (F) = 0.0409, wRref (F2) = 0.1150, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2016
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38. Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4.

Author

Yun-Lian, Shi, Tao, Huang, Xu-Liang, Nie, Da-Yong, Peng, Jin-Chuan, Liu, and Bao-Tong, Li

Subjects
CRYSTAL structure, MALONATES, MONOCLINIC crystal system, AMINOPYRIDINES, MALONIC acid
Abstract

[C15H6Cl6O4], monoclinic, Cc (no. 9), a = 12.0980(11) Å, b = 10.0628(9) Å, c = 15.1518(14) Å, β = 104.231(1)°, V = 1788.0(3) Å3, Z = 4, Rgt(F) = 0.0214, wRref(F2) = 0.0568, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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39. Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1 H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2.

Author

Xu-Liang, Nie, Juan-Hua, Kong, Jing, Chen, Jin-Zhu, Chen, and Wan-Ming, Xiong

Subjects
*CRYSTAL structure, *HYDROGEN atom, *ELECTROCHEMISTRY, *ENVIRONMENTAL sciences, *IONIC liquids
Abstract

C14H24F12N4P2, triclinic, P1̅ (no. 2), a = 8.8173(12) Å, b = 8.8845(12) Å, c = 9.1494(12) Å, α = 62.2060(10)°, β = 64.2980(10)°, γ = 89.661(2)°, V = 553.72(13) Å3, Z = 1, Rgt( F) = 0.0746, wRref( F2) = 0.2038, T = 296 K. [ABSTRACT FROM AUTHOR]

Published
2017
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40. Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1 H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2.

Author

Xu-Liang, Nie, Juan-Hua, Kong, Jing, Chen, Jin-Zhu, Chen, and Wan-Ming, Xiong

Subjects
CRYSTAL structure, HYDROGEN atom, ELECTROCHEMISTRY, ENVIRONMENTAL sciences, IONIC liquids
Abstract

C14H24F12N4P2, triclinic, P1̅ (no. 2), a = 8.8173(12) Å, b = 8.8845(12) Å, c = 9.1494(12) Å, α = 62.2060(10)°, β = 64.2980(10)°, γ = 89.661(2)°, V = 553.72(13) Å3, Z = 1, Rgt( F) = 0.0746, wRref( F2) = 0.2038, T = 296 K. [ABSTRACT FROM AUTHOR]

Published
2017
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41. Crystal structure of 3-methyl-2 H-chromen-2-one, C10H8O2.

Author

Fan-Xin, Zeng, Xu-Liang, Nie, Xin-Chen, Shang-guan, Zhong-Ping, Yin, and Da-Yong, Peng

Subjects
*CRYSTAL structure, *MONOCLINIC crystal system, *METHYLCOUMARINS, *MOLECULAR crystals, *ANHYDRIDES, *PERKIN reaction
Abstract

C10H8O2, monoclinic, P21/ c (no. 14), a = 6.524(3) Å, b = 17.561(9) Å, c = 6.989(4) Å, β = 100.058(7)°, V = 788.4(7) Å3, Z = 4, Rgt (F) = 0.0418, wRref (F2) = 0.1069, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2016
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42. Crystal structure of 3-methyl-2 H-chromen-2-one, C10H8O2.

Author

Fan-Xin, Zeng, Xu-Liang, Nie, Xin-Chen, Shang-guan, Zhong-Ping, Yin, and Da-Yong, Peng

Subjects
CRYSTAL structure, MONOCLINIC crystal system, METHYLCOUMARINS, MOLECULAR crystals, ANHYDRIDES, PERKIN reaction
Abstract

C10H8O2, monoclinic, P21/ c (no. 14), a = 6.524(3) Å, b = 17.561(9) Å, c = 6.989(4) Å, β = 100.058(7)°, V = 788.4(7) Å3, Z = 4, Rgt (F) = 0.0418, wRref (F2) = 0.1069, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2016
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43. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2.

Author

Ting, Huang, Jin-Zhu, Chen, Xu-Liang, Nie, Jing, Chen, and Wan-Ming, Xiong

Subjects
*CRYSTAL structure, *PHOSPHATES
Abstract

C18H20F12N4P2, monoclinic, P21/n (no. 14), a = 8.3185(9) Å, b = 21.883(2) Å, c = 13.4345(15) Å, β = 103.4730(10)°, V = 2378.3(5) Å3, Z = 4, Rgt(F) = 0.0470, wRref(F2) = 0.1305, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2021
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44. Crystal structure of 2-oxo-1-(pyrimidin-5-ylmethyl)-3-(3-(trifluoromethyl)phenyl)-1,2-dihydro-5l4-pyrido[1,2-a]pyrimidin-4-olate, C20H13F3N4O2.

Author

Yun-lian, Shi, Tao, Huang, Xu-Liang, Nie, Feng-Rong, Zhang, Da-Yong, Peng, Xu-Gen, Shi, and Bao-Tong, Li

Subjects
*ORTHORHOMBIC crystal system, *CRYSTAL structure
Abstract

C20H13F3N4O2, triclinic, P1̄ (no. 2), a = 11.3525(10) Å, b = 12.7530(11) Å, c = 13.1926(12) Å, α = 83.894(1)°, β = 69.314(1)°, γ = 84.720(1)°, V = 1773.7(3) Å3, Z = 4, Rgt(F) = 0.0477, wRref(F2) = 0.1433, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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46. Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4.

Author

Yun-Lian, Shi, Tao, Huang, Xu-Liang, Nie, Da-Yong, Peng, Jin-Chuan, Liu, and Bao-Tong, Li

Subjects
*CRYSTAL structure, *MALONATES, *MONOCLINIC crystal system, *AMINOPYRIDINES, *MALONIC acid
Abstract

[C15H6Cl6O4], monoclinic, Cc (no. 9), a = 12.0980(11) Å, b = 10.0628(9) Å, c = 15.1518(14) Å, β = 104.231(1)°, V = 1788.0(3) Å3, Z = 4, Rgt(F) = 0.0214, wRref(F2) = 0.0568, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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47. Crystal structure of methyl (E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate, C14H16O5.

Author

Chun-Mei, Guo, Lu-Yao, Yi, Lei, Pan, Yuan, You, and Xu-Liang, Nie

Subjects
*CRYSTAL structure, *ACRYLATES
Abstract

C14H16O5, triclinic, P1 (no. 2), a = 8.5293(8) Å, b = 11.5626(11) Å, c = 14.2196(13) Å, α = 88.888(10)°, β = 74.988(10)°, γ = 87.556(10)°, V = 1353.2(2) Å3, Z = 4, Rgt(F) = 0.0430, wRref(F2) = 0.1202, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2021
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49. Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorido phosphate), C16H28F12N4P2.

Author

Wen, Zhao, Jing, Chen, Wan-Ming, Xiong, Ying-Dong, Lan, and Xu-Liang, Nie

Subjects
*CRYSTAL structure, *PHOSPHATES
Abstract

C16H28N4 2(F6P), monoclinic, P21/n (no. 14), a = 8.7921(12) Å, b = 16.173(2) Å, c = 9.1376(12) Å, β = 111.13(10)°, V = 1211.1(3) Å3, Z = 2, Rgt(F) = 0.0475, wRref(F2) = 0.1262, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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50. Crystal structure of 1,1′-(ethane-1,2-diyl)bis(3-ethyl-1H-imidazol-3-ium)bis(hexafluorido phosphate), C12H20F12N4P2.

Author

Wan-Ming, Xiong, Yi-Bo, Di, Ying-Dong, Lan, Jing, Chen, Xu-Liang, Nie, and Chang-Gan, Huang

Subjects
*CRYSTAL structure, *PHOSPHATES, *MONOCLINIC crystal system, *IMIDAZOLES, *ETHER (Anesthetic), *INTERMEDIATES (Chemistry)
Abstract

C12H20F12N4P2, monoclinic, P21/c (no. 14), a = 7.012(2) Å, b = 15.507(5) Å, c = 10.398(2) Å, β = 118.945(15)°, Z = 2, V = 989.4(5) Å3, Rgt(F) = 0.0526, wRref(F2) = 0.1537, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2019
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