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Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide-κN)bis(2,4,6-trimethylbenzoato-κO (1))nickel(II) dihydrate
In the title Ni(II) complex, [Ni(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxylate groups of two 2,4,6-trimethylbenzoate (TMB) ligands [Ni—O = 2.0438 (12) Å]...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598856/ https://www.ncbi.nlm.nih.gov/pubmed/28932444 http://dx.doi.org/10.1107/S205698901701060X |
Sumario: | In the title Ni(II) complex, [Ni(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxylate groups of two 2,4,6-trimethylbenzoate (TMB) ligands [Ni—O = 2.0438 (12) Å], two N atoms from the pyridyl groups of two isonicotinamide (INA) ligands [Ni—N = 2.1506 (15) Å] and two water molecules [Ni—O = 2.0438 (12) Å] in a slightly distorted octahedral geometry. The coordinating water molecules are hydrogen bonded to the non-coordinating carboxylate O atom of the TMB ligand [O⋯O = 2.593 (3) Å], enclosing an S(6) hydrogen-bonding motif. Two solvent water molecules are also present in the formula unit. In the crystal, a network of intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the complexes into a three-dimensional array. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (59.8%), O⋯H/H⋯O (20.2%) and C⋯H/H⋯C (13.7%) interactions. |
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