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

Zhang BY, Nie JJ, Xu DJ - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.Weak C-H⋯O hydrogen bonding is also observed between these sheets.

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

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.

No MeSH data available.


A diagram showing π-π stacking between parallel pyrimidine rings of adjacent polymeric sheets.
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Fap2: A diagram showing π-π stacking between parallel pyrimidine rings of adjacent polymeric sheets.


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

Zhang BY, Nie JJ, Xu DJ - Acta Crystallogr Sect E Struct Rep Online (2009)

A diagram showing π-π stacking between parallel pyrimidine rings of adjacent polymeric sheets.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977290&req=5

Fap2: A diagram showing π-π stacking between parallel pyrimidine rings of adjacent polymeric sheets.
Bottom Line: 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.Weak C-H⋯O hydrogen bonding is also observed between these sheets.

View Article: PubMed Central - HTML - PubMed

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

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.

No MeSH data available.