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catena-Poly[[aqua-(benzoato-κO,O')(benzoic acid-κO)calcium]-μ(3)-benzoato-κO:O,O':O'].

作者信息

Azizov Olimjon, Kadirova Zukhra, Azizov Tohir, Tolipov Samat, Ibragimov Bakhtiyar

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m597. doi: 10.1107/S1600536811013493. Epub 2011 Apr 16.

DOI:10.1107/S1600536811013493
PMID:21754317
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089294/
Abstract

In title compound, Ca(C(7)H(5)O(2))(2)(C(7)H(6)O(2))(H(2)O), the eightfold-coordinated Ca(II) ion is bonded to four carboxyl-ate O atoms from two benzoate ions, an O atom from benzoic acid and a water O atom. One of the carboxyl-ate groups bridges adjacent Ca(2+) ions, forming a polymeric ribbon structure parallel to [010]. In the crystal, the benzoate anions and water mol-ecule inter-act by way of inter- and intra-molecular O-H⋯O hydrogen bonds.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/069d/3089294/88d11f88b633/e-67-0m597-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/069d/3089294/906de7bbccec/e-67-0m597-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/069d/3089294/88d11f88b633/e-67-0m597-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/069d/3089294/906de7bbccec/e-67-0m597-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/069d/3089294/88d11f88b633/e-67-0m597-fig2.jpg

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引用本文的文献

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Structure and physical stability of hydrates and thermotropic mesophase of calcium benzoate.苯甲酸钙水合物和热致中间相的结构与物理稳定性
J Pharm Sci. 2006 May;95(5):1162-72. doi: 10.1002/jps.20589.
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Triaquabenzoatocalcium(II) monobenzoate: coordination polymer chains linked into a two-dimensional framework by hydrogen bonds.
Acta Crystallogr C. 2005 Oct;61(Pt 10):m448-9. doi: 10.1107/S0108270105027484. Epub 2005 Sep 17.