Crystal structure of tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]
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ABSTRACT:
SUBMITTER: Shlian D
PROVIDER: S-EPMC10915660 | biostudies-literature | 2024 Feb
REPOSITORIES: biostudies-literature
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Project description:The mol-ecule of the title compound, [Cu(2)(SO(4))(2)(C(11)H(16)N(4))(2)], sits on a center of symmetry. The Cu(II) atom has a distorted trigonal-bipyramidal coordination geometry comprising three O atoms of the two symmetry-related SO(4) (2-) anions and two N atoms from one bis-(3,5-dimethyl-pyrazol-1-yl)methane ligand.
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Project description:In the crystal structure of the title compound, discrete centrosymmetric complexes are observed, in which the Ni cations are octahedrally coordinated by two terminal N-bonded selenocyanate anions and four pyridine coligands. The reaction of nickel chloride hexahydrate with potassium selenocyanate and pyridine in water leads to the formation of crystals of the title complex, [Ni(NCSe)2(C5H5N)4], which were characterized by single-crystal X-ray diffraction. Its crystal structure consists of discrete complexes, located on centers of inversion, in which the Ni cations are sixfold coordinated by two terminal N-bonded selenocyanate anions and four pyridine ligands within a slightly distorted octahedral coordination. In the crystal, the complexes are connected by weak C—H⋯Se interactions. PXRD investigations revealed that a pure crystalline phase has formed. In the IR and Raman spectra, the C—N stretching vibrations are observed at 2083 and 2079 cm−1, respectively, in agreement with the presence of only terminally bonded anionic ligands. Upon heating, one well-resolved mass loss is observed, in which two of the four pyridine ligands are removed, leading to a compound with the composition Ni(NCSe)2(C5H5N)2. In this compound, the C—N stretching vibration is shifted to 2108 cm−1 (Raman) and 2115 cm−1 (IR), indicating the presence of μ-1,3-bridging anionic ligands. In its PXRD pattern, very broad reflections are observed, indicating for poor crystallinity and/or very small particle size. This crystalline phase is not isotypic to its Co and Fe analogs.
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Project description:The cation in the title salt has a bitetrahedral {Hg2Se6} core. The title compound, [Co6Hg2(C5H5)6(C5H4Se)6](PF6)4·2CH3CN or [Hg2(CcSe)6][PF6]4·2CH3CN (Cc = C10H9Co), was obtained as bright-orange needle-shaped crystals. It is a salt containing a tetracationic dimercury species with six cobaltoceniumselenolate ligands, four hexafluoridophosphate counter-ions and two acetonitrile solvent molecules. The cation (point group
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Project description:The crystal structure of the centrosymmetric complex [Cu(terpy)2Cl2](OTF)2 consists of a CuII metal center in a distorted square-pyramidal geometry with π–π stacking interactions contributing to the crystal packing. In the centrosymmetric title complex, [Cu2Cl2(C15H11N3)2](CF3O3S)2, the CuII metal center is fivefold coordinated by two chloride ions and three nitrogen atoms of the terpyridine ligand in a distorted square-pyramidal geometry; two trifluoromethanesulfonate ions complete the outer coordination sphere. π–π stacking interactions between the pyridyl rings in adjacent molecules contribute to the alignment of the complexes in columns along the a-axis. This structure represents the first example of a binuclear dication of formula [Cu(terpy)2Cl2]2+ with trifluoromethanesulfonate as counter-ions.
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Project description:In the crystal structure of the title compound, the nickel cations are octahedrally coordinated by two terminal N-bonded thiocyanate anions and four 3-methylpyridine ligands. Reaction of Ni(NCS)2 with 3-methylpyridine in water leads to the formation of crystals of the title compound, [Ni(NCS)2(C6H7N)4]. All of them are of poor quality and non-merohedrally twinned but a refinement using data in HKLF-5 format leads to a reasonable structure model and reliability factors. The crystal structure of the title compound consists of discrete complexes, in which the nickel cations are sixfold coordinated by two terminal N-bonded thiocyanate anions and four 3-methylpyridine ligands within slightly distorted octahedra. One of the 3-methylpyridine ligands is disordered and was refined using a split model. The discrete complexes are arranged into layers. X-ray powder diffraction proves that pure samples have been obtained, and in the IR spectrum, the CN stretching vibration is observed at 2072 cm−1, in agreement with the presence of only terminally coordinated thiocyanate anions. Comparing the calculated powder pattern with those of the residues obtained by solvent removal from several solvates already reported in the literature proves that, in each case, this crystalline phase is formed. Assessing the crystal structures of the solvates in comparison with that of the ansolvate reveals some similarities.
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Project description:In the title complex, [Mn(3)(CH(3)CO(2))(6)(C(2)H(6)SO)(2)](n), the Mn(II) ions exhibit similar MnO(6) octa-hedral coordination geometries but with different coordination environments. One type of Mn(II) ion is surrounded by five acetate groups and a terminal dimethyl sulfoxide group, while the other lies on a twofold axis and is coordinated by six O atoms from three symmetry-related acetate ions. The acetate anions exhibit three independent bridging modes, which flexibly bridge the Mn(II) ions along the c-axis direction, forming an infinite chain structure; the chains are further inter-connected through weak C-H⋯O and C-H⋯S hydrogen-bonding inter-actions.
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Project description:The asymmetric unit of the title compound, [Cu(CHO(2))Cl(C(5)H(8)N(2))(3)](2)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a chloride anion in an axial position [Cu-Cl = 2.4275 (7) Å] in a distorted tetra-gonal-pyramidal geometry. The Cu(II) atom in B is coordinated by two N atoms from two L ligands and two chloride anions [Cu-Cl = 2.2524 (6) Å] in a distorted square-planar geometry. In the crystal, inter-molecular N-H⋯O hydrogen bonds link mol-ecules A into centrosymmetric dimers. Inter-molecular N-H⋯Cl hydrogen bonds further link these dimers with the B mol-ecules, forming chains propagating in [101].
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