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聚[双-(μ(2)-嘧啶-2-羧基-κO,N:O',N')钙]

Poly[bis-(μ(2)-pyrimidine-2-carboxyl-ato-κO,N:O',N')calcium].

作者信息

Zhang Bing-Yu, Nie Jing-Jing, Xu Duan-Jun

机构信息

Department of Chemistry, Zhejiang University, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 8;65(Pt 8):m878-9. doi: 10.1107/S1600536809025537.

DOI:10.1107/S1600536809025537
PMID:21583343
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977290/
Abstract

In the crystal structure of the title polymeric complex, Ca(C(5)H(3)N(2)O(2))(2), the Ca(II) cation has site symmetry m2 and is N,O-chelated by four pyrimidine-2-carboxyl-ate anions in a square-anti-prismatic geometry. The planar pyrimidine-2-carboxyl-ate anion is located on a crystallographic special position, three C atoms have site symmetry 2mm, while the carboxyl O atom, the pyrimidine N atom and the other C atom have site symmetry m. Each pyrimidine-2--carboxyl-ate anion bridges two Ca(II) cations, forming polymeric sheets extending parallel to (001). π-π stacking exists between parallel pyrimidine rings [centroid-centroid distance = 3.6436 (6) Å] of adjacent polymeric sheets. Weak C-H⋯O hydrogen bonding is also observed between these sheets.

摘要

在标题聚合物配合物[Ca(C₅H₃N₂O₂)₂]ₙ的晶体结构中，Ca(II)阳离子具有m2点对称性，被四个嘧啶-2-羧酸根阴离子以四方反棱柱几何构型进行N、O螯合。平面的嘧啶-2-羧酸根阴离子位于晶体学特殊位置，三个C原子具有2mm点对称性，而羧基O原子、嘧啶N原子和另一个C原子具有m点对称性。每个嘧啶-2-羧酸根阴离子桥连两个Ca(II)阳离子，形成平行于(001)延伸的聚合物片层。相邻聚合物片层的平行嘧啶环之间存在π-π堆积[质心-质心距离 = 3.6436 (6) Å]。在这些片层之间还观察到弱的C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bccd/2977290/6819f280955a/e-65-0m878-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bccd/2977290/d715ec1eed11/e-65-0m878-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bccd/2977290/6819f280955a/e-65-0m878-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bccd/2977290/d715ec1eed11/e-65-0m878-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bccd/2977290/6819f280955a/e-65-0m878-fig2.jpg

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本文引用的文献

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