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二水合双(2-碘苯甲酸根-κO)双(烟酰胺-κN(1))铜(II)

Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))copper(II).

作者信息

Aydın Omür, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1162-3. doi: 10.1107/S1600536812034587. Epub 2012 Aug 8.

Abstract

In the title complex, [Cu(C(7)H(4)IO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) cation is located on an inversion center and is coordinated by two monodentate 2-iodo-benzoate (IB) anions, two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

摘要

在标题配合物[Cu(C₇H₄IO₂)₂(C₆H₆N₂O)₂(H₂O)₂]中,Cu(II)阳离子位于一个对称中心上,由两个单齿的2-碘苯甲酸根(IB)阴离子、两个烟酰胺(NA)配体和两个水分子以扭曲的八面体配位几何构型配位。羧酸根基团与相邻苯环之间的二面角为32.12 (14)°,而吡啶环和苯环的二面角为82.02 (5)°。配位水分子通过分子内O—H⋯O氢键与羧酸根基团相连。在晶体中,N—H⋯O、O—H⋯O和弱C—H⋯O氢键将分子连接成三维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3680/3435587/1d701389dacc/e-68-m1162-fig1.jpg

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