Sertçelik Mustafa, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer
Department of Chemistry, Kafkas University, 63100 Kars, Turkey.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):m290-1. doi: 10.1107/S1600536813010908. Print 2013 May 1.
The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu2(C8H5O3)4(C6H6N2O)4], contains one half of the complex mol-ecule. The Cu(II) atoms are bridged by the carboxyl-ate groups of two 4-formyl-benzoate (FOB) anions. Besides the two bridging FOB anions, one additional chelating FOB anion and two isonicotinamide (INA) ligands complete the distorted CuN2O4 octa-hedral coordination of each Cu(2+) cation. Within the asymmetric unit, the benzene and pyridine rings are oriented at dihedral angles of 25.1 (3) and 12.6 (3)°, respectively. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings [shortest centroid-centroid distance = 3.821 (3) Å] may further stabilize the crystal structure. One of the formyl groups of the two FOB anions is disordered over two sets of sites with an occupancy ratio of 0.65:0.35.
中心对称双核标题化合物[Cu2(C8H5O3)4(C6H6N2O)4]的不对称单元包含半个配合物分子。两个铜（II）原子由两个4-甲酰基苯甲酸（FOB）阴离子的羧酸根基团桥连。除了两个桥连的FOB阴离子外，一个额外的螯合FOB阴离子和两个异烟酰胺（INA）配体完成了每个Cu(2+)阳离子扭曲的CuN2O4八面体配位。在不对称单元内，苯环和吡啶环的二面角分别为25.1 (3)°和12.6 (3)°。在晶体中，N-H⋯O和C-H⋯O氢键将分子连接成三维网络。吡啶环之间的π-π接触[最短质心-质心距离 = 3.821 (3) Å]可能进一步稳定晶体结构。两个FOB阴离子中的一个甲酰基在两组位置上无序，占有率为0.65:0.35。
