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链状聚[[[双-(4-乙基苯甲酸根-κO,O')铅(II)]-μ-烟酰胺-κN:O]一水合物]

catena-Poly[[[bis-(4-ethyl-benzoato-κO,O')lead(II)]-μ-nicotinamide-κN:O] monohydrate].

作者信息

Hökelek Tuncer, Tercan Barış, Sahin Ertan, Aktaş Vedat, Necefoğlu Hacali

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1057-8. doi: 10.1107/S1600536811026535. Epub 2011 Jul 9.

Abstract

In the crystal structure of the polymeric title compound, {[Pb(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)]·H(2)O}(n), the six-coordinate Pb(II) ion is chelated by two 4-ethyl-benzoate (PEB) anions and is bridged by two nicotinamide (NA) ligands, forming a polymeric chain running along the b axis. The carboxyl-ate groups of the PEB ions are twisted away from the attached benzene rings by 4.0 (6) and 13.3 (5)°. The two benzene rings of the PEB ions bonded to the same metal ion are oriented at a dihedral angle of 87.4 (3)°. In the polymeric chain, the NA ligand is linked to one of the carboxyl-ate groups via N-H⋯O hydrogen bonding. In the crystal, adjacent polymeric chains inter-act via N-H⋯O and weak C-H⋯O hydrogen bonds; and the lattice water mol-ecule links with the polymeric chains via N-H⋯O and O-H⋯O hydrogen bonding. π-π stacking between the benzene and the pyridine rings [centroid-centroid distance = 3.805 (5) Å] and weak C-H⋯π inter-actions are also observed in the crystal structure.

摘要

在聚合物标题化合物{[Pb(C₉H₉O₂)₂(C₆H₆N₂O)]·H₂O}ₙ的晶体结构中,六配位的Pb(II)离子被两个4-乙基苯甲酸根(PEB)阴离子螯合,并由两个烟酰胺(NA)配体桥连,形成沿b轴延伸的聚合物链。PEB离子的羧酸根基团与相连的苯环扭转了4.0 (6)°和13.3 (5)°。与同一金属离子相连的PEB离子的两个苯环以87.4 (3)°的二面角取向。在聚合物链中,NA配体通过N-H⋯O氢键与其中一个羧酸根基团相连。在晶体中,相邻的聚合物链通过N-H⋯O和弱C-H⋯O氢键相互作用;晶格水分子通过N-H⋯O和O-H⋯O氢键与聚合物链相连。晶体结构中还观察到苯环和吡啶环之间的π-π堆积[质心-质心距离 = 3.805 (5) Å]以及弱C-H⋯π相互作用。

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