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Poly[bis-(?(2)-pyrimidine-2-carboxyl-ato-?O,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). ?-? 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

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]

PMID: 21583343

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