Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-κN,O)cobalt(II) 3.5-hydrate.

Shi-Jie Li,Shao-Wei Tong,Jing-Bo An,Wen-Dong Song,Dong-Liang Miao

doi:10.1107/s1600536810052785

Abstract

In the title complex, [Co(C8H9N2O4)2(H2O)2]·3.5H2O, the CoII cation is six-coordinated by two H2pimda− ligands (H3pimda is 2-propyl-1H-imidazole-4,5-carboxylic acid) and two water molecules in a distorted octahedral environment. The crystal structures features a three-dimensional network stabilized by extensive O—H⋯O and N—H⋯O hydrogen bonds. The propyl groups of the ligands are disordered over two sets of sites with refined occupancies of 0.673 (8):0.327 (8) and 0.621 (17):0.379 (17). One of the water molecules is located on a site with half-occupancy.

Highlights

In the title complex, [Co(C8H9N2O4)2(H2O)2]Á3.5H2O, the CoII cation is six-coordinated by two H2pimdaÀ ligands (H3pimda is 2-propyl-1H-imidazole-4,5-carboxylic acid) and two water molecules in a distorted octahedral environment
The propyl groups of the ligands are disordered over two sets of sites with refined occupancies of 0.673 (8):0.327 (8) and 0.621 (17):0.379 (17)
One of the water molecules is located on a site with half-occupancy

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.007 A; disorder in main residue; R factor = 0.050; wR factor = 0.101; data-to-parameter ratio = 11.3. In the title complex, [Co(C8H9N2O4)2(H2O)2]Á3.5H2O, the CoII cation is six-coordinated by two H2pimdaÀ ligands (H3pimda is 2-propyl-1H-imidazole-4,5-carboxylic acid) and two water molecules in a distorted octahedral environment. The crystal structures features a three-dimensional network stabilized by extensive O—HÁ Á ÁO and N—HÁ Á ÁO hydrogen bonds. The propyl groups of the ligands are disordered over two sets of sites with refined occupancies of 0.673 (8):0.327 (8) and 0.621 (17):0.379 (17). One of the water molecules is located on a site with half-occupancy. Related literature For our past work based on H3pimda, see: Yan et al (2010); Li, Dong et al (2010); Song et al (2010); He et al (2010); Fan et al (2010); Li, Miao et al (2010); Li, Song et al (2010)

Data collection

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