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聚[[μ(2)-水合-μ(3)-(4-羧基-2-丙基-1H-咪唑-5-羧基-κN,O:O:O)-钠]半水合物]

Poly[[μ(2)-aqua-μ(3)-(4-carb-oxy-2-propyl-1H-imidazole-5-carboxyl-ato-κN,O:O:O)-sodium] hemihydrate].

作者信息

Huang Zhong-Jing, Tang Jin-Niu, Luo Zhi-Rong, Wang Dai-Yin, Wei Huan

机构信息

Department of Chemistry, Guangxi University for Nationalities, Nanning 530006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m408. doi: 10.1107/S1600536811007732. Epub 2011 Mar 9.

DOI:10.1107/S1600536811007732
PMID:21753940
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099890/
Abstract

In the title compound, {[Na(C(8)H(9)N(2)O(4))(H(2)O)]·0.5H(2)O}(n), the Na(+) ion is coordinated by two bridging water mol-ecules, one N atom and three O atoms from three 4-carb-oxy-2-propyl-1H-imidazole-5-carboxyl-ate (H(2)pimdc) ligands. Adjacent Na(+) ions are linked alternately by two water O atoms and two carb-oxy O atoms into a chain along [001]. These chains are connected through the coordination of the carboxyl-ate O atoms to the Na(+) ions, forming a three-dimensional structure. An intra-molecular O-H⋯O hydrogen bond and inter-molecular N-H⋯O and O-H⋯O hydrogen bonds are present in the crystal structure.

摘要

在标题化合物{[Na(C₈H₉N₂O₄)(H₂O)]·0.5H₂O}ₙ中,Na⁺离子由两个桥连水分子、一个N原子以及来自三个4-羧基-2-丙基-1H-咪唑-5-羧酸盐(H₂pimdc)配体的三个O原子配位。相邻的Na⁺离子通过两个水分子O原子和两个羧基O原子交替连接,沿[001]方向形成一条链。这些链通过羧酸盐O原子与Na⁺离子的配位作用相连,形成三维结构。晶体结构中存在分子内O—H⋯O氢键以及分子间N—H⋯O和O—H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d79/3099890/66dda3f6c013/e-67-0m408-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d79/3099890/57e5bf86b70e/e-67-0m408-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d79/3099890/66dda3f6c013/e-67-0m408-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d79/3099890/57e5bf86b70e/e-67-0m408-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d79/3099890/66dda3f6c013/e-67-0m408-fig2.jpg

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