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Two new complexes of tetra(isothiocyanate)cobalt(II) dianion and meta-substituted benzyl triphenylphosphinium, [3BrBzTPP]2[Co(NCS)4] (1) and [3CNBzTPP]2[Co(NCS)4] (2) ([3BrBzTPP]+= 1-(3′-bromobenzyltriphenylphosphonium and [3CNBzTPP]+= 1-(3′-cyanobenzyltriphenylphosphonium), were prepared and characterized by elemental analysis, FT–IR, UV-vis spectra, ESI-MS, and single-crystal X-ray diffraction method. Both 1 and 2 crystallize in monoclinicP2(1)/c, and the Co(II) ion of the [Co(NCS)4]2−anion shows a distorted tetrahedral coordination geometry. The C-H···S hydrogen bonds and p···π interaction found in 1 and 2 consolidate the stacking of the crystal. Magnetic susceptibility measurement in the temperature range 2–300 K shows that 1 and 2 exhibit a weak antiferromagnetic coupling behavior. [ABSTRACT FROM PUBLISHER]

Two tetrabromocuprate(II) complexes containing substituted benzyl alkyl pyridinium, [Bz-4-MePy]2[CuBr4] (1) and [Bz-4-EtPy]2[CuBr4] (2) ([Bz-4MePy]+= (1-benzyl-4′-methylpyridinium) [Bz-4-EtPy]+= 1-benzyl-4′-ethylpyridinium), were crystallized from methanol and dilute HBr solutions, and were determined by single crystal X-ray diffraction. Two complexes crystallize in the orthorhombic system with space groupPna21, and comprise two tortuous cations and one tetrahedral [CuBr4]2–anion. The [CuBr4]2–anions in two complexes form a linear chain by Br···Br interaction with the distance of 4.001 Å for 1 and 4.062 Å for 2, while the combination of C‒H···Br and C‒H···N weak hydrogen bonds,p···π and π···π, interactions consolidate the crystal packing and results in a 3D network structure. [ABSTRACT FROM AUTHOR]

Two new salts containing tetrachlorocobaltate(II) anion, [4FBz TPP]2[CoCl4](1) and [4ClBzTPP]2[CoCl4]·3H2O(2) ([4FBzTPP]+= 1-(4’-flurobenzyl)triphenylphosphonium; [4ClBzTPP]+= 1-(4’-chlorobenzyl)triphenylphosphonium), have been prepared and characterized by elemental analysis, IR, UV-Vis, ESI-MS, molar conductivity, and single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic system with space groupP21/c, whereas 2 crystallizes in the triclinic system with space group P-1. The [CoCl4]2– anion in two salts exhibits a distorted tetrahedral coordination geometry. The C‒H···Cl, O‒H···Cl, and O‒H···O hydrogen bonds, p···π and π···π interactions, or O···O and Cl···O in 1 and 2 consolidate the crystal packing and give further rise to a 3D network structure. [ABSTRACT FROM PUBLISHER]

In two new bis(maleonitriledithiolate)copper(II) salts, [Bz-1-MeIm]2[Cu(mnt)2] (1) and [4-NO2Bz-1-MeIm]2[Cu(mnt)2] (2) ([Bz-1-MeIm]+= Bz-1-MeMz = 1-methyl-3-benzylimidazolium; [4-NO2Bz-1-MeIm]+= 1-methyl-3-(4′-nitrobenzyl)imidazolium), 1 crystallizes in the triclinic system with space groupP-1, whereas 2 crystallizes in the monoclinic system with space groupP21/c. The cations and anions stack alternately into a column by π···π and C‒H···π interactions, and the C‒H···N and C‒H···O hydrogen bonds consolidate the crystal packing and give further rise to a 3D network structure. Magnetic susceptibility measurements show that 1 displays strong antiferromagnetic interaction withθ= –255.98 K, whereas 2 shows weak ferromagnetic coupling withθ= 0.527 K. [ABSTRACT FROM PUBLISHER]

Two new ion-pair compounds based on [Ni(tdas)2]2−(tdas = 1,2,5-thiadiazole-3,4-dithiolate) anion with substituted benzyl triphenylphosphium cation, [2ClBzTPP]2[Ni(tdas)2](1) and [4ClBzTPP]2[Ni(tdas)2](2), have been prepared and characterized by UV, IR, ESI-MS, molar conductivity, and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analyses indicate that 1 crystallizes in the triclinic space groupP–1, while 2 crystallizes in the monoclinic space groupP21/n. Some intramolecular contacts such as C−H···Cl, C−H···S, C−H···N or S···Cl weak interactions observed in 1 and 2 consolidate the crystal packing and generate a 3D network structure. [ABSTRACT FROM PUBLISHER]

Two new tetrachlorocobaltate(II) salts, [BzTPP]2[CoCl4]·H2O (1) and [4NO2BzTPP]2[CoCl4]·H2O (2) ([BzTPP]+ = 1-benzyl- triphenylphosphonium; [4NO2BzTPP]+ = 1-(4′-nitrobenzyl)tri- phenylphosphonium), have been prepared and characterized by elemental analysis, IR, MS, single-crystal X-ray diffraction, and magnetic susceptibility. Both 1 and 2 crystallize in the monoclinic space group P21/c. The [CoCl4]2− anion exhibits a distorted tetrahedral coordination geometry. The C-H···Cl, C-H···O, and C-H···π hydrogen bonds in 1 and 2 give rise to a 3D hydrogen-bonded network structure. Magnetic susceptibility measurements in the temperature range 2–300 K show that both 1 and 2 exhibit an antiferromagnetic coupling behavior. [ABSTRACT FROM PUBLISHER]

Two tetrabromocuprate(II) salts with benzyl substituted pyridinium, [Bz-4-NH2Py]2[CuBr4] (1) and [Bz-4-N(CH3)2Py]2- [CuBr4] (2) ([Bz-4-NH2Py]+ = (1-benzyl-4′-aminopyridinium), [Bz-4-N(CH3)2Py]+ = 1-benzyl-4′-dimethylaminopyridinium) were crystallized from methanol and diluted in HBr solution. Compound 1 crystallizes in the orthorhombic Pna21, with 2 in the monoclinic P21/n. Two salts are composed of one tetrahedral [CuBr4]2− anion and two tortuous [Bz-4-NH2Py]+/[Bz-4-N(CH3)2Py]+ cations. The [CuBr4]2− anions in 1 form a linear chain, while the combination of C-H···π, C-H···Br, C-H···N weak hydrogen bonds and π···π interactions results in the forming of a 3D network structure of 1 and 2. The two salts show good antibacterial activities for E. coli and S. aureus. [ABSTRACT FROM AUTHOR]

Two new salts, [NO2BrBzPy]2[M(mnt)2] ([NO2BrBzPy]+= 1-(2'-bromo-4'-nitrobenzyl)pyridinium; mnt2-= maleonitriledithiolate; M = Ni(1), Pd(2)) have been prepared and characterized by elemental analyses, IR, UV, ESI-MS spectra, TG, and single-crystal X-ray diffraction. The results reveal that when the metal ion is changed from Ni(II) to Pd(II), the crystal system, and the dihedral angles between the phenyl and pyridine rings and the C-C-N reference plane of the cation, and the stacking modes of the anions and the cations are evidently different. Some weak interactions such as C-H···Br, C-H···O, C-H···N and C-H···S hydrogen bonds, p[image omitted] or [image omitted] stacking interactions in 1 and 2 play important roles in the molecular stacking and generate a 2D structure. [ABSTRACT FROM AUTHOR]

Two tetrabromocuprate (II) salts with substituted benzyl pyridinium, [BzPy]2[CuBr4](1) and [4NO2BzPy]2[CuBr4](2) ([BzPy]+ = 1-benzylpyridinium; [4NO2BzPy]+ = 1-(4'-nitrobenzy- lpyridinium), were synthesized and characterized by elemental analysis, IR, MS, and single-crystal X-ray diffraction. The two salts comprise a [CuBr4]2-anion and two cations, and the [CuBr4]2-anion exhibits a distorted tetrahedral coordination geometry. The weak interactions such as p...π, π...π, C-H...π, C-H...Br or C-H...O hydrogen bonds play important roles in the stacking and stabilization of the two salts, and give rise to a 3D network structure. In addition, the two salts show good antibacterial activities for colibacillus, aurococcus, bacillus subtilus and bacillus thuringiensis. [ABSTRACT FROM AUTHOR]

Two new salts based on [Ni(tdas)2]2 - (tdas2 - = 1, 2, 5-thiadiazole-3,4-dithiolate) anion with substituted benzylpyridinium cation, [BzPy][Ni(tdas)2] (1) and [NO2BzPy]2[Ni(tdas)2] (2), have been prepared by reaction of Na2tdas, NiCl2.6H2O, and 1-Rbenzylpyrid-inium bromide [RBzPyBr, R = H(1), NO2(2)]. Single-crystal X-ray diffraction analyses indicate that the two salts crystallize in a monoclinic system with space group C2/c, but the stacking modes of the anions and the cations are different. Some intra-molecular contacts such as p· · · π, π · · · π, or C-H · · · N weak interactions in 1 and 2 play important roles in the molecular stacking and generate a 2D structure. In addition, IR, UV, MS, molar conductivities and effect on crystal structures 1 and 2 are successively described. [ABSTRACT FROM AUTHOR]

Two new organic-inorganic hybrid materials, [(Ph) 2 CHTPP][Ni(mnt) 2 ]( 1 ) and [(Ph) 2 CHTPP] 2 [Cu(mnt) 2 ]·2CH 3 CN( 2 ) (mnt = maleonitriledithilate, [(Ph) 2 CHTPP] + = diphenylmethane-triphenylphosphinium), were prepared and characterized. Two compounds crystallize in the triclinic lattice with P -1 space group, and the adjoined anions form one-dimension chain structure through weak π⋯π or C⋯N interactions in 1 , and C H⋯S and C H⋯N hydrogen bonds through the solvent lattice acetonitrile molecule in 2 . The power X-ray diffraction patterns are in good agreement with the simulated patterns based on the crystal structures, indicating the purity of the as-grow crystals. FT-IR and UV–vis spectra were recorded and analyzed with the aid of the DFT calculation. The HOMO/SOMO and LUMO energy gaps were calculated by the DFT method explain charge transfer interactions take place within two materials. Thermal analysis shows two materials can be stable up to 171 °C for 1 and 215 °C for 2 . The variable-temperature susceptibility analysis shows that 1 is the para-magnetic system with a spin-gap at 110 K and 2 exhibits a weak antiferromagnetic exchange interaction as the temperature is lowered. [ABSTRACT FROM AUTHOR]

Highlights: [•] Four molecular solids containing [Cu(mnt)2]2−/[Ni(mnt)2]− anion were synthesized and characterized. [•] There are F⋯F, Cl⋯Cl and C–H⋯Cu anagostic interactions in 1 and 2. [•] The Ni(III) ions in a [Ni(mnt)2]− column of 3 and 4 form a 1D linear chain. [•] Compound 1 and 2 show weak ferromagnetic coupling at 20–300K. [•] Compound 3 and 4 exhibit characteristic of antiferromagnetic coupling. [ABSTRACT FROM AUTHOR]

Highlights: [•] Three molecular magnets containing [Ni(mnt)2]− anion were successfully obtained. [•] The anions and the cations in 1 and 3 stack into segregated columns. [•] The Ni(III) ions of 1 and 3 form a alternating 1D zigzag magnetic chain. [•] The [Ni(mnt)2]− anions of 2 form a dimer. [•] Compounds 1 and 3 show interesting characteristic of spin-gap. [Copyright &y& Elsevier]

Abstract: The preparation, crystal structures and magnetic properties of two novel salts, [DiBzPid][Ni(mnt)2](1) and [DiBzPid]2[Cu(mnt)2](2), where [DiBzPid]+ = N,N′-dibenzylpiperidinium and mnt2− =maleonitriledithiolate, are investigated. The Ni(III) ions of 1 form a 1D zigzag alternating chain in a [Ni(mnt)2]− column through intermolecular π⋯π stacking interaction, short C⋯S and C⋯N interactions between the adjacent anions, while the cations(C) and anions(A) of 2 stack into a 1D alternating ⋯CCACCACC⋯ column via C–H⋯N, C–H⋯π hydrogen bonds and π⋯π stacking interactions. Magnetic susceptibility measurements in the temperature range 2–300K show that 1 exhibits a spin-gap transition around 150K with Δ/kb =429.94K, while 2 shows a very weakly ferromagnetic coupling behavior with θ =1.18×10−2 K. [Copyright &y& Elsevier]

Abstract: Two new molecular magnets, [BzPyN(CH3)2][Ni(mnt)2] (1) and [NO2BzPyN(CH3)2][Ni(mnt)2] (2)([BzPyN(CH3)2]+ =1-benzyl-4-dimethylaminopyridinium, [NO2BzPyN(CH3)2]+ =1-(4′-nitrobenzyl)-4-dimethylaminopyridinium, and mnt2− =maleonitriledithiolate) have been prepared and characterized by elemental analyses, IR, MS spectra, single crystal X-ray diffraction and magnetic susceptibility. The Ni(III) ions of both 1 and 2 form a 1D zigzag alternating magnetic chain within a column through Ni⋯S, Ni⋯Ni, Ni⋯N, S⋯S, or π⋯π interactions. Magnetic susceptibility measurements in the temperature range 1.8–300K show that 1 exhibits antiferromagnetic behavior, while 2 shows a spin gap transition around 170K, and antiferromagnetic interaction in the high-temperature phase (HT) and spin gap in the low-temperature phase (LT). The phase transition for 2 is second-order by determination of DSC analyses. [Copyright &y& Elsevier]