Hökelek Tuncer, Akduran Nurcan, Özen Azer, Uğurlu Güventürk, Necefoğlu Hacali
Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey.
SANAEM, Saray Mahallesi, Atom Caddesi, No. 27, 06980 Saray-Kazan, Ankara, Turkey.
Acta Crystallogr E Crystallogr Commun. 2017 Feb 21;73(Pt 3):413-416. doi: 10.1107/S2056989017002675. eCollection 2017 Mar 1.
The asymmetric unit of the title compound, [Cd(CHNO)(CHN)], contains one Cd atom, two 3-nitro-benzoate (NB) anions and two 3-cyano-pyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB anions act as bidentate ligands through the carboxyl-ate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the Cd atoms are bridged by the carboxyl-ate O atoms of two symmetry-related NB anions, thus completing the distorted NO penta-gonal-bipyramidal coordination sphere of each Cd atom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7) and 5.76 (9)°, respectively. In the crystal, C-H⋯N hydrogen bonds link the mol-ecules, enclosing (26) ring motifs, in which they are further linked C-H⋯O hydrogen bonds, resulting in a three-dimensional network. In addition, π-π stacking inter-actions between parallel benzene rings and between parallel pyridine rings of adjacent mol-ecules [shortest centroid-to-centroid distances = 3.885 (1) and 3.712 (1) Å, respectively], as well as a weak C-H⋯π inter-action, may further stabilize the crystal structure.
标题化合物[Cd(CHNO)(CHN)]的不对称单元包含一个镉原子、两个3-硝基苯甲酸根（NB）阴离子和两个3-氰基吡啶（CPy）配体。两个CPy配体作为单齿N（吡啶）键合配体，而两个NB阴离子通过羧酸根O原子作为双齿配体。通过应用反演对称性生成中心对称双核配合物，其中镉原子由两个对称相关的NB阴离子的羧酸根O原子桥连，从而完成每个镉原子扭曲的NO五角双锥配位球。苯环和吡啶环的二面角分别为10.02 (7)°和5.76 (9)°。在晶体中，C-H⋯N氢键连接分子，形成（26）环 motif，其中它们进一步通过C-H⋯O氢键连接，形成三维网络。此外，相邻分子平行苯环之间以及平行吡啶环之间的π-π堆积相互作用[最短质心到质心距离分别为3.885 (1) 和3.712 (1) Å]，以及弱C-H⋯π相互作用，可能进一步稳定晶体结构。
