3-[(Z)-(4-Diethylamino-6-oxocyclohexa-2,4-dien-1-ylidene)methylaminobenzoic acid

Swamy, M. T. and Narayana, B. and Yathirajan, H. S. and Sarojini, B. K. and Kubicki, Maciej (2008) 3-[(Z)-(4-Diethylamino-6-oxocyclohexa-2,4-dien-1-ylidene)methylaminobenzoic acid. Acta Crystallographica Section E, 64 (1). o163-o164. ISSN 1600-5368

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Official URL: https://doi.org/10.1107/S1600536807064446


The title compound, Csb 18Hsb 20Nsb 2Osb 3, crystallizes as the keto tautomer, unlike the vast majority of similar structures that have been reported that contain the hydroxy tautomer. There are two strong hydrogen bonds in the crystal structure, both accepted by the same carbonyl group: one intra-molecular N—H⋅sO and one inter-molecular O—-H⋅sO. As a result, the carbonyl C=O distance is long, at 1.310(2)Å, which may suggest the molecule has a significant zwitterionic character. The dihedral angle between the benzene ring planes is 15.05(7)circ. As a result of the intramolecular hydrogen bond, the bridging C—-C=N—-C group is almost coplanar with the benzene ring that has the diethylamino substituent dihedral angle 2.35(15)circ.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Manjula P Library Assistant
Date Deposited: 30 Aug 2019 06:16
Last Modified: 30 Aug 2019 06:16
URI: http://eprints.uni-mysore.ac.in/id/eprint/7363

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