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


ABSTRACT: In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water mol-ecules and N,O-chelated by two 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate anions in a distorted octa-hedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1?(2)°. Strong O-H?O hydrogen bonds between protonated and deprotonated carboxyl-ate groups occur in the mol-ecular structure. In the crystal structure extensive O-H?O and N-H?O hydrogen bonds help to stabilize the three-dimensional supra-molecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768?(6):0.232?(6) and 0.642?(8):0.358?(8).

SUBMITTER: Li SJ 

PROVIDER: S-EPMC3007830 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Li Shi-Jie SJ   Dong Jing-Jing JJ   Song Wen-Dong WD   Yan Jian-Bin JB   Li Shi-Hong SH  

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9


In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water mol-ecules and N,O-chelated by two 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate anions in a distorted octa-hedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O-H⋯O hydrogen bonds between protonated and deprotonated carboxyl-ate groups occur in the mol-ecular structure. In the crystal structure extensive O-H⋯O and N-H⋯O hydrogen  ...[more]

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