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Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide-κ iN/i )bis(2,4,6-trimethylbenzoato-κ iO/i sup1/sup )nickel(II) dihydrate       
Yazarlar
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Gizem Sertkaya
Türkiye
Ezgi Ay
Türkiye
Safiye Özkaya
Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Özet
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 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.
Anahtar Kelimeler
crystal structure | nickel(11) | coordination compound | benzoic acid | nicotinamide
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Dergi ISSN 2056-9890
Dergi Tarandığı Indeksler ESCI: Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 08-2017
Cilt No 73
Sayı 8
Sayfalar 1237 / 0
Doi Numarası 10.1107/S205698901701060X
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S205698901701060X