Abstract
The itle compound, [Ca(C6H3ClNO2)2(H2O)2]n, contains polymeric chains extending along [100] that are generated by inversion centres. The Ca2+ 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, intermolecular O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds result in the formation of a supramolecular network structure. The π–π contacts between the 2-chloronicotinate rings [centroid–centroid distances = 3.875 (3) and 3.701 (3) Å] may further stabilize the structure.
Highlights
The itle compound, [Ca(C6H3ClNO2)2(H2O)2]n, contains polymeric chains extending along [100] that are generated by inversion centres
The Ca2+ ions are bridged by 2chloronicotinate groups and exhibit an eight-coordination by six carboxylate O atoms of four different 2-chloronicotinate ligands and two O atoms of water molecules
H O hydrogen bonds result in the formation of a supramolecular network structure
Summary
R factor = 0.043; wR factor = 0.145; data-to-parameter ratio = 14.8. The itle compound, [Ca(C6H3ClNO2)2(H2O)2]n, contains polymeric chains extending along [100] that are generated by inversion centres. The Ca2+ ions are bridged by 2chloronicotinate groups and exhibit an eight-coordination by six carboxylate O atoms of four different 2-chloronicotinate ligands and two O atoms of water molecules. Intermolecular O—H O, O—H N and C—. H O hydrogen bonds result in the formation of a supramolecular network structure. The – contacts between the 2chloronicotinate rings [centroid–centroid distances = 3.875 (3). 3.701 (3) Å] may further stabilize the structure
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