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Di-aqua-bis-(nicotinamide-?N (1))bis-(thiocyanato-?S)cobalt(II).

ABSTRACT: In the title compound, [Co(NCS)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion centre and is coordinated by two thio-cyanate anions, two nicotinamide mol-ecules and two water mol-ecules in a distorted N2O2S2 octa-hedral geometry. The amide group is twisted by 31.30?(16)° with respect to the pyridine ring. In the crystal, mol-ecules are linked by O-H?O, O-H?S and N-H?S hydrogen bonds into a three-dimensional supra-molecular network. Weak ?-? stacking is observed between parallel pyridine rings of adjacent mol-ecules, the centroid-centroid distance being 3.8270?(19)?Å.

SUBMITTER: Pandey D

PROVIDER: S-EPMC4051052 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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Di-aqua-bis-(nicotinamide-κN (1))bis-(thiocyanato-κS)cobalt(II).

Pandey Deepanjali D Narvi Shahid S SS Chaudhuri Siddhartha S

Acta crystallographica. Section E, Structure reports online 20140531 Pt 6

In the title compound, [Co(NCS)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion centre and is coordinated by two thio-cyanate anions, two nicotinamide mol-ecules and two water mol-ecules in a distorted N2O2S2 octa-hedral geometry. The amide group is twisted by 31.30 (16)° with respect to the pyridine ring. In the crystal, mol-ecules are linked by O-H⋯O, O-H⋯S and N-H⋯S hydrogen bonds into a three-dimensional supra-molecular network. Weak π-π stacking is observed between parallel ...[more]

PMID: 24940215

Similar Datasets

Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

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Tetra-aqua-bis(nicotinamide-?N)cobalt(II) bis-(2-fluoro-benzoate).

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Di-?-acetato-?-aqua-bis-[acetatobis(1H-benzimidazole)cobalt(II)].

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Di-aqua-bis-(nicotinamide-?N (1))bis-(thio-cyanato-?N)nickel(II).

Project description:In the title complex, [Ni(NCS)2(C6H6N2O)2(H2O)2], the Ni(II) ion is located on an inversion center and is coordinated in a distorted octa-hedral environment by two N atoms from two nicotinamide ligands and two water mol-ecules in the equatorial plane, and two N atoms from two thio-cyanate anions in the axial positions, all acting as monodentate ligands. In the crystal, weak N-H?S hydrogen bonds between the amino groups and the thio-cyanate anions form an R 4 (2)(8) motif. The complex mol-ecules are linked by O-H?O, O-H?S, and N-H?S hydrogen bonds into a three-dimensional supra-molecular structure. Weak ?-? inter-actions between the pyridine rings is also found [centroid-centroid distance = 3.8578?(14)?Å].

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catena-Poly[[di-?-aqua-bis[aqua-cobalt(II)]]-bis(?(3)-1H-benzimidazole-5,6-dicarboxylato].

Project description:The title compound, [Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)](n), is a one-dimensional polymeric complex with bridging 1H-benzimidazole-5,6-dicarboxyl-ate and aqua ligands. The Co(II) cation has an octa-hedral coordination environment provided by an NO(5) donor set. Adjacent polymeric chains extended along the [100] direction are linked by O-H?O and N-H?O hydrogen bonds, generating a three-dimensional network.

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Aqua-bis-(3-chloro-benzoato-?O)bis-(N,N-di-ethyl-nicotinamide-?N)copper(II).

Project description:The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the Cu(II) cation and the O atom of the coordinating water mol-ecule located on the axis. The Cu(II) cation is coordinated by two carboxyl-ate O atoms of chloro-benzoate (CB) anions, two N atoms of N,N-di-ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.51?(6)°. In the anionic ligand, the carboxyl-ate group is twisted away from the attached benzene ring by 12.85?(11)°. In the crystal, O-H?O hydrogen bonds between the coordinating water mol-ecule and the carboxyl group link the complex mol-ecules into supra-molecular chains running along the c-axis direction.

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Crystal structure of bis-(di-methyl-ammonium) hexa-aqua-cobalt(II) bis-(sulfate) dihydrate.

Project description:The title salt, (C2H8N)2[Co(H2O)6)](SO4)2·2H2O, is isotypic with (C2H8N)2[Ni(H2O)6)](SO4)2·2H2O. The Co-O bond lengths in the [Co(H2O)6](2+) complex cation show very similar distances as in the related Tutton salt (NH4)2[Co(H2O)6)](SO4)2 [average 2.093?(17)?Å], but are significantly longer than in the isotypic Ni(II) compound (?d ? 0.04?Å). The cobalt cation reaches an overall bond-valence sum of 1.97 valence units. The S-O distances are nearly equal, ranging from 1.454?(4) to 1.470?(3)?Å [mean 1.465?(12)?Å]; however, the O-S-O angles vary clearly from 108.1?(2) to 110.2?(2)° [average bond angle 109.5?(9)°]. The non-coordinating water mol-ecules and di-methyl-ammonium cations connect the sulfate tetrahedra and the [Co(H2O)6](2+) octa-hedron via O-H?O and N-H?O hydrogen bonds of weak up to medium strength into a three-dimensional framework whereby the complex metal cations and sulfate anions are arranged in sheets parallel to (001).

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Di-aqua-dichlorido-bis-(pyridine-?N)cobalt(II).

Project description:The title mol-ecule, [CoCl2(C5H5N)2(H2O)2], has -1 symmetry with the Co(II) ion situated on an inversion centre. The cation has a distorted octa-hedral coordination environment and is surrounded by two N and two Cl atoms in the equatorial plane, while the coordinating water O atoms occupy the axial positions. The crystal exhibits nonmerohedral twinning with two domain states, the volume fractions of which were refined to 0.883?(2) and 0.117?(3). The crystal packing is stabilized by O-H?Cl hydrogen-bond inter-actions, forming two-dimensional networks lying parallel to (001). The crystal packing also features ?-? inter-actions between the pyridine rings, with centroid-centroid separations of 3.493?(3) and 3.545?(3)?Å.

| S-EPMC3884431 | biostudies-other

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