二面角
化学
结晶学
氢键
吡啶
苯
双锥
配体(生物化学)
晶体结构
戒指(化学)
Crystal(编程语言)
立体化学
药物化学
分子
受体
有机化学
生物化学
程序设计语言
计算机科学
作者
Nihat Bozkurt,Tuncay Tunç,Nagihan Çaylak Delibaş,Hacali Necefoğlu,Tuncer Hökelek
标识
DOI:10.1107/s160053681301965x
摘要
In the crystal of the title Cd(II) polymeric complex, [Cd(C7H4ClO2)2(C10H14N2O)(H2O)] n , the Cd(II) cation is chelated by two chloro-benzoate anions and coordinated by two N,N-di--ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted NO6 penta-gonal-bipyramidal geometry. The Cd(II) cations are bridged by the pyridine N atom and carbonyl O atom of the DENA ligand to form a polymeric chain running along the b axis. Inter-molecular O-H⋯O hydrogen bonds between coordinating water mol-ecules and carboxyl-ate groups link adjacent chains into layers parallel to the bc plane. π-π contacts between benzene rings [shortest centroid-centroid distance = 3.912 (2) Å] further stabilizes the crystal structure. In the mol-ecule, weak C-H⋯O hydrogen bonds occur between the pyridine ring and carboxyl-ate groups; the dihedral angles between the carboxyl-ate groups and adjacent benzene rings are 4.6 (3) and 12.8 (3)°, while the benzene rings are oriented at a dihedral angle of 1.89 (13)°.
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