Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide-κN)bis(2,4,6-trimethylbenzoato-κO 1)nickel(II) dihydrate
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چکیده
In the title NiII complex, [Ni(C10H11O2)2(C6H6N2O)2(H2O)2]·2H2O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxyl-ate groups of two 2,4,6-tri-methyl-benzoate (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 mol-ecules [Ni-O = 2.0438 (12) Å] in a slightly distorted octa-hedral geometry. The coordinating water mol-ecules are hydrogen bonded to the non-coordinating carboxyl-ate O atom of the TMB ligand [O⋯O = 2.593 (3) Å], enclosing an S(6) hydrogen-bonding motif. Two solvent water mol-ecules are also present in the formula unit. In the crystal, a network of inter-molecular 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%) inter-actions.
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