Dimethyl (1-methyl-1,3-benzimidazol-5-yl)aminomethylenepropanedioate monohydrate

In the title compound, C(14)H(15)N(3)O(4).H(2)O, there is a strong conjugation push-pull effect across the central double bond, as reflected in the molecular dimensions and the planarity of the enaminone portion of the molecule. The molecule has an intramolecular hydrogen bond between the NH and CO...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2000-08, Vol.56 (8), p.1007-1008
Main Authors: KETTMANN, V, LOKAJ, J, KRATKY, C, MILATA, V, HODUL, P
Format: Article
Language:English
Subjects:
Angiotensin II - metabolism
Angiotensin Receptor Antagonists
Benzimidazoles - chemistry
Cinnamates - chemistry
Condensed matter: structure, mechanical and thermal properties
Crystallography, X-Ray
Exact sciences and technology
Heterocyclic compounds
Models, Molecular
Molecular Conformation
Organic compounds
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary:In the title compound, C(14)H(15)N(3)O(4).H(2)O, there is a strong conjugation push-pull effect across the central double bond, as reflected in the molecular dimensions and the planarity of the enaminone portion of the molecule. The molecule has an intramolecular hydrogen bond between the NH and CO groups in the Z configuration, adopting the chelated form. The two pi systems of the molecule (1-methylbenzimidazole and enaminone) are deconjugated and tilted with respect to each other by 15.6 (2) degrees. The solvent water molecule is hydrogen bonded to the N(1) atom of the 1-methylbenzimidazolyl group.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270100006995