Synthesis and crystal structure studies of novel bioactive heterocycle: 7-chloro-5-cyclopropyl-9-methyl-10-(2-piperidin-1-yl-ethyl)-5,10-dihydro -4,5,6,10-tetraazadibenzoa, d] cyclohepten-11-one

Thimmegowda, N. R. and Sarala, G. and Ananda Kumar, C. S. and Chandrappa, S. and Benaka Prasad, S. B. and Anandalwar, Sridhar M. and Prasad, Shashidhara J. and Rangappa, K. S. (2009) Synthesis and crystal structure studies of novel bioactive heterocycle: 7-chloro-5-cyclopropyl-9-methyl-10-(2-piperidin-1-yl-ethyl)-5,10-dihydro -4,5,6,10-tetraazadibenzoa, d] cyclohepten-11-one. Journal of Chemical Crystallography, 39 (7). pp. 484-488. ISSN 1572-8854

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Official URL: http://doi.org/10.1007/s10870-008-9508-6

Abstract

The compound, 7-chloro-5-cyclopropyl-9-methyl-10-(2-piperidin-1-yl-ethyl)-5, 10-dihydro-4,5,6,10-tetraazadibenzoa, d] cyclohepten-11-one, C22H26N5ClO, crystallizes in the triclinic space group Pi with cell parameters a = 8.918(7) angstrom, b = 9.297(7) angstrom, c = 14.184(8) angstrom, V = 1095.98(1) angstrom(3) and Z = 2. The final residual factor R-1 = 0.0451. The structure exhibits intermolecular hydrogen bonds. The 2-piperidin-1-yl-ethyl ring adopts a chair conformation. The starting material used to synthesize the title compound is the intermediate compound of well known anti-HIV drug Nevirapine hence the title compound is having biological importance and hence this crystal structure will helps to structural characterization of the molecule and also for the molecular modeling it will helps for biological study.

Item Type: Article
Uncontrolled Keywords: Azepinone; Piperidine; Crystal structure; Equatorial conformation
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Shrirekha N
Date Deposited: 22 Aug 2019 09:50
Last Modified: 22 Aug 2019 09:50
URI: http://eprints.uni-mysore.ac.in/id/eprint/6898

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