catena-Poly[[diaqua-calcium(II)]-di-μ-2-chloro-nicotinato].

Acta Crystallogr Sect E Struct Rep Online

College of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China.

Published: January 2009

The itle compound, [Ca(C(6)H(3)ClNO(2))(2)(H(2)O)(2)](n), contains polymeric chains extending along [100] that are generated by inversion centres. The Ca(2+) ions are bridged by 2-chloronicotinate groups and exhibit an eight-coordination by six carboxylate O atoms of four different 2-chloronicotinate ligands and two O atoms of water molecules. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds result in the formation of a supra-molecular network structure. The π-π contacts between the 2-chloro-nicotinate rings [centroid-centroid distances = 3.875 (3) and 3.701 (3) Å] may further stabilize the structure.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968257PMC
http://dx.doi.org/10.1107/S1600536808044267DOI Listing

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catena-Poly[[diaqua-calcium(II)]-di-μ-2-chloro-nicotinato].

Acta Crystallogr Sect E Struct Rep Online

January 2009

College of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China.

The itle compound, [Ca(C(6)H(3)ClNO(2))(2)(H(2)O)(2)](n), contains polymeric chains extending along [100] that are generated by inversion centres. The Ca(2+) ions are bridged by 2-chloronicotinate groups and exhibit an eight-coordination by six carboxylate O atoms of four different 2-chloronicotinate ligands and two O atoms of water molecules. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds result in the formation of a supra-molecular network structure.

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