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

ABSTRACT: 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 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.

SUBMITTER: Zhang BY 

PROVIDER: S-EPMC2977290 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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

Zhang Bing-Yu BY   Nie Jing-Jing JJ   Xu Duan-Jun DJ  

Acta crystallographica. Section E, Structure reports online 20090708 Pt 8

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 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  ...[more]

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