Search

C13H16O6, monoclinic, P21/c (no. 14), a = 12.180(3) Å, b = 13.813(4) Å, c = 7.842(2) Å, β = 93.917(4)°, V = 1316.2(6) Å3, Z = 4, Rgt(F) = 0.0442, wRref(F2) = 0.1375, T = 296(2) K.

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.

C9H14F12N4P2, monoclinic, P21/m (no. 11), a = 5.8968(9) Å, b = 11.5554(18) Å, c = 12.994(2) Å, β = 94.577(2)°, V = 882.6(2) Å3, Z = 2, Rgt(F) = 0.0676, wRref(F2) = 0.2020, T = 296(2) K.

C14H16O5, triclinic, P1‾$‾{1}$ (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.

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.

A series of novel N-alkyl-1-deoxynojirimycin derivatives 25 ∼ 44 were synthesised and evaluated for their in vitro α-glucosidase inhibitory activity to develop α-glucosidase inhibitors with high activity. All twenty compounds exhibited α-glucosidase inhibitory activity with IC50 values ranging from 30.0 ± 0.6 µM to 2000 µM as compared to standard acarbose (IC50 = 822.0 ± 1.5 µM). The most active compound 43 was ∼27-fold more active than acarbose. Kinetic study revealed that compounds 43, 40, and 34 were all competitive inhibitors on α-glucosidase with Ki of 10 µM, 52 µM, and 150 µM, respectively. Molecular docking demonstrated that the high active inhibitors interacted with α-glucosidase by four types of interactions, including hydrogen bonds, π–π stacking interactions, hydrophobic interactions, and electrostatic interaction. Among all the interactions, the π–π stacking interaction and hydrogen bond played a significant role in a various range of activities of the compounds.

In this work, functionalized alkyl imidazolium hexafluorophosphate ILs were synthesized and characterized; then, they were applied in the conversion of xylose to furfural under the microwave method. The results showed that when CnMF was used as a catalyst, an acidic environment was provided to promote the formation of furfural. In addition, the heating method, the solvent, and the different structures of cations in the ionic liquid influenced their catalytic activity. In an aqueous solution, the yield of furfural obtained using the microwave method was better than that of the conventional heating method, and the catalytic activity of diimidazole hexafluorophosphate was better than that of monoimidazole. Meanwhile, for the diimidazole hexafluorophosphate, the change of the carbon chain length between the imidazole rings also slightly influenced the yield. Finally, the optimal yield of 49.76% was obtained at 205°C for 8 min using 3,3′-methylenebis(1-methyl-1H-imidazol-3-ium), C1MF, as a catalyst. Mechanistic studies suggested that the catalytic activity of C1MF was mainly due to the combined effect of POFn (OH)3-n and imidazole ring. Without a doubt, the catalytic activity of C1MF was still available after five cycles, which not only showed its excellent catalytic activity in catalyzing the xylose to prepare the biomass platform compound furfural but also could promote the application of functionalized ionic liquids.

C22H20N4O, monoclinic, P21/n (no. 14), a = 11.1861(14) Å, b = 8.1418(10) Å, c = 20.461(3) Å, β = 97.433(1)°, V = 1847.8(4) Å3, Z = 4, Rgt(F) = 0.0357, wRref(F2) = 0.1002, T = 296(2) K.

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.

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.

C13H22F12N4P2, monoclinic, P21/c, a = 12.9171(13) Å, b = 13.3953(13) Å, c = 12.5808(12) Å, β = 97.766(1)°, V = 2156.9(4) Å3, Z = 4,Rgt(F) = 0.0583, wRref(F2) = 0.1557, T = 296(2) K.

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.

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.

[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.

C10H10O4, monoclinic, C2/c (no. 15), a = 25.400(4) Å, b = 5.9738(10) Å, c = 12.746(2) Å, β = 94.318(2)°, V = 1928.5(6) Å3, Z = 8, Rgt(F) = 0.0434, wRref(F2) = 0.1276, T = 296(2) K.

[C14H14F3N5O6S], monoclinic, P21/c (No. 14), a = 12.512(4) Å, b = 12.572(4) Å, c = 12.511(4) Å, β = 114.39(1)°, V = 1792.5(11) Å3, Z = 4, Rgt(F) = 0.0366, wRref(F2) = 0.0849, T = 296(2) K.

C12H20F12N4P2, triclinic, P1̅ (no. 2), a = 7.388(4) Å, b = 8.499(4) Å, c = 9.347(4) Å, α = 90.198(5)°, β = 106.496(5)°, γ = 113.042(5)°, V = 513.4(4) Å3, Z = 1, Rgt(F) = 0.0652, wRref(F2) = 0.2037, T = 296(2) K.

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.

In the crystal structure of the title compound, [CoCl2(C15H17Cl2N3O)4], the CoII cation lies on an inversion center and has a slightly distorted octahedral coordination geometry. The equatorial positions are occupied by four N atoms from four diniconazole [systematic name: (E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol] ligands. The axial sites are occupied by two Cl− anions. In the two independent organic ligands, the triazole ring is oriented at dihedral angles of 18.28 (14) and 32.15 (14)° with respect to the dichlorophenyl ring. Intermolecular O—H...Cl hydrogen bonds consolidate the crystal packing.

In the title compound, [NiCl2(C15H17Cl2N3O)4], the Ni atom lies on an inversion center and has an axially extended trans-NiCl2N4 octahedral geometry arising from its coordination by four diniconazole [systematic name: (E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol] ligands and two chloride ions. In the crystal, O—H...Cl hydrogen bonds link the molecules into [100] chains.

In the title compound, C9H11N3O·CH4O, the semicarbazone moiety is nearly planar [maximum deviation = 0.017 (2) Å] and is twisted by a dihedral angle of 29.40 (13)° with respect to the phenyl ring. The semicarbazone moiety and phenyl ring are located on opposite sides of the C=N bond, showing the E configuration. An intermolecular O—H...O and N—H...O hydrogen-bonding network occurs in the crystal structure.

The asymmetric unit of the title compound [systematic name: (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol], C15H17Cl2N3O, contains two molecules in which the dihedral angles between the triazole and benzene rings are 9.4 (2) and 35.0 (2)°. In the crystal, the molecules are linked by O—H...N hydrogen bonds, forming C(7) chains propagating in [010].

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]

C13H16O6, monoclinic, P21/c (no. 14), a = 12.180(3) Å, b = 13.813(4) Å, c = 7.842(2) Å, β = 93.917(4)°, V = 1316.2(6) Å3, Z = 4, Rgt(F) = 0.0442, wRref(F2) = 0.1375, T = 296(2) K. [ABSTRACT FROM AUTHOR]

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]

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]

C22H20N4O, monoclinic, P21/n (no. 14), a = 11.1861(14) Å, b = 8.1418(10) Å, c = 20.461(3) Å, β = 97.433(1)°, V = 1847.8(4) Å3, Z = 4, Rgt(F) = 0.0357, wRref(F2) = 0.1002, T = 296(2) K. [ABSTRACT FROM AUTHOR]

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]

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]

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]

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]

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]

[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]

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]

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]

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]

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]

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]

In the title compound, [Eu(C8H6NO2)3(H2O)]n, the europium(III) ion is coordinated by eight carboxylate O atoms and one water molecule. The carboxylate ligands bridge pairs of europium(III) ions, forming a zigzag chain along [100]; hydrogen bonds link the chains into sheets parallel to (001). [ABSTRACT FROM AUTHOR]

C16H20F12N4P2, monoclinic, P21/c (no. 14), a = 7.3086(15) Å, b = 12.174(3) Å, c = 26.355(6) Å, β = 94.500(2)°, V = 2337.6(8) Å3, Z = 4, Rgt(F) = 0.0742, wRref(F2) = 0.2262, T = 296(2) K. [ABSTRACT FROM AUTHOR]

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]

The Co atom in the title compound, [Co(C6H5N2O4)2(H2O)2], is located on an inversion centre and exhibits a distorted octahedral geometry. It is trans coordinated by two N, O-bidentate 5-carboxy-2-methyl-1 H-imidazole-4-carboxylate monoanionic ligands with two water molecules in the axial positions. Each ligand is stabilized by a strong, almost symmetrical, hydrogen bond. Intermolecular N—H...O hydrogen bonds link the molecules into layers, which are further linked into a three-dimensional supramolecular framework through O—H...O hydrogen-bonding interactions involving the water molecules. [ABSTRACT FROM AUTHOR]

In the title compound, [Cd(C6H7N2O5)2], the Cd atom lies on an inversion center and has a slightly distorted octa­hedral geometry. The equatorial plane contains two bidentate 5-carb­oxy-2-methyl-1 H-imidazole-4-carboxyl­ate monoanionic ligands. Two coordinated water mol­ecules occupy the axial sites. Inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains, which are further connected by inter­molecular O—H⋯O hydrogen bonds, resulting in a three-dimensional supra­molecular framework. [ABSTRACT FROM AUTHOR]

C13H16O6, monoclinic, P21/c (no. 14), a = 12.180(3) Å, b = 13.813(4) Å, c = 7.842(2) Å, β = 93.917(4)°, V = 1316.2(6) Å3, Z = 4, Rgt(F) = 0.0442, wRref(F2) = 0.1375, T = 296(2) K. [ABSTRACT FROM AUTHOR]

[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]

C9H14F12N4P2, monoclinic, P21/m (no. 11), a = 5.8968(9) Å, b = 11.5554(18) Å, c = 12.994(2) Å, β = 94.577(2)°, V = 882.6(2) Å3, Z = 2, R gt (F) = 0.0676, wR ref (F 2) = 0.2020, T = 296(2) K. [ABSTRACT FROM AUTHOR]

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]