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-Tetraaza-Dibenzo[a, 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, S. M. and Shashidhara Prasad, 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-Tetraaza-Dibenzo[a, d] Cyclohepten-11-One. Journal of Chemical Crystallography, 39 (7). pp. 484-488. ISSN 1074-1542

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Official URL: http://dx.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-tetraaza-dibenzo[a, d] cyclohepten-11-one, C22H26N5ClO, crystallizes in the triclinic space group Pī with cell parameters a = 8.918(7) Å, b = 9.297(7) Å, c = 14.184(8) Å, V = 1095.98(1) Å3 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
Additional Information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - J Chem Crystallogr [Field not mapped to EPrints]
Uncontrolled Keywords: Azepinone, Piperidine, Crystal structure, Equatorial conformation
Subjects: Physical Sciences > Chemistry
Divisions: PG Campuses > Manasagangotri, Mysore > Chemistry
Depositing User: Kruthi M.S
Date Deposited: 23 Jul 2013 09:51
Last Modified: 12 Aug 2013 07:44
URI: http://eprints.uni-mysore.ac.in/id/eprint/14086

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