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双(μ-3-硝基苯甲酸根)-κ,':;κ:,'-双[双(3-氰基吡啶-κ)(3-硝基苯甲酸根-κ,')]镉的晶体结构

Crystal structure of bis-(μ-3-nitro-benzoato)-κ,':;κ:,'-bis-[bis-(3-cyano-pyridine-κ)(3-nitro-benzoato-κ,')cadmium].

作者信息

Hökelek Tuncer, Akduran Nurcan, Özen Azer, Uğurlu Güventürk, Necefoğlu Hacali

机构信息

Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey.

SANAEM, Saray Mahallesi, Atom Caddesi, No. 27, 06980 Saray-Kazan, Ankara, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Feb 21;73(Pt 3):413-416. doi: 10.1107/S2056989017002675. eCollection 2017 Mar 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b50/5347067/9737ceab01d3/e-73-00413-fig1.jpg

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