Thimmegowda, N. R. and Sarala, G. and Ananda Kumar, C. S. and Chandrappa, S. and Benaka Prasad, S. B. and Sridhar, M. A. 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-tetraazadibenzoa, d] cyclohepten-11-one. Journal of Chemical Crystallography, 39 (7). pp. 484-488. ISSN 1572-8854
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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 D Physical Science > Physics |
| Divisions: | Department of > Chemistry Department of > Physics |
| Depositing User: | Users 19 not found. |
| Date Deposited: | 23 Aug 2019 06:04 |
| Last Modified: | 10 Dec 2019 09:45 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/6947 |
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