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Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]

In the crystal structure of the title polymeric complex, [Ca(C(5)H(3)N(2)O(2))(2)](n), the Ca(II) cation has site symmetry [Image: see text] m2 and is N,O-chelated by four pyrimidine-2-carboxyl­ate anions in a square-anti­prismatic geometry. The planar pyrimidine-2-carboxyl­ate anion is located on a...

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Detalles Bibliográficos
Autores principales: Zhang, Bing-Yu, Nie, Jing-Jing, Xu, Duan-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977290/
https://www.ncbi.nlm.nih.gov/pubmed/21583343
http://dx.doi.org/10.1107/S1600536809025537
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author Zhang, Bing-Yu
Nie, Jing-Jing
Xu, Duan-Jun
author_facet Zhang, Bing-Yu
Nie, Jing-Jing
Xu, Duan-Jun
author_sort Zhang, Bing-Yu
collection PubMed
description In the crystal structure of the title polymeric complex, [Ca(C(5)H(3)N(2)O(2))(2)](n), the Ca(II) cation has site symmetry [Image: see text] m2 and is N,O-chelated by four pyrimidine-2-carboxyl­ate anions in a square-anti­prismatic geometry. The planar pyrimidine-2-carboxyl­ate 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-­carboxyl­ate 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.
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spelling pubmed-29772902010-12-30 Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium] Zhang, Bing-Yu Nie, Jing-Jing Xu, Duan-Jun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the crystal structure of the title polymeric complex, [Ca(C(5)H(3)N(2)O(2))(2)](n), the Ca(II) cation has site symmetry [Image: see text] m2 and is N,O-chelated by four pyrimidine-2-carboxyl­ate anions in a square-anti­prismatic geometry. The planar pyrimidine-2-carboxyl­ate 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-­carboxyl­ate 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. International Union of Crystallography 2009-07-08 /pmc/articles/PMC2977290/ /pubmed/21583343 http://dx.doi.org/10.1107/S1600536809025537 Text en © Zhang et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Zhang, Bing-Yu
Nie, Jing-Jing
Xu, Duan-Jun
Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title_full Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title_fullStr Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title_full_unstemmed Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title_short Poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) O,N:O′,N′)calcium]
title_sort poly[bis­(μ(2)-pyrimidine-2-carboxyl­ato-κ(4) o,n:o′,n′)calcium]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977290/
https://www.ncbi.nlm.nih.gov/pubmed/21583343
http://dx.doi.org/10.1107/S1600536809025537
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