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.
Graphical Abstract
The title 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 was synthesized by condensation of 7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a, d] cyclohepten-11-one with 1-(2-chloro-ethyl)-piperidine hydrochloride in presence of anhydrous powdered potassium carbonate as base using N,N-dimethyl formamide as solvent and its crystal structure determined. The title compound derived from bioactive molecule and it is also having biological importance hence this crystal structure will helps for the structural characterization and the biological study of the novel molecule.
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The authors are grateful to Department of Science and Technology and Government of India for financial assistance under Projects SP/I2/FOO/93 and UGC-SAP (Phase I) No. F. 540/10/DRS/2004 (SAP-I).
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Thimmegowda, N.R., Sarala, G., Ananda Kumar, C.S. et al. 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. J Chem Crystallogr 39, 484–488 (2009). https://doi.org/10.1007/s10870-008-9508-6
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DOI: https://doi.org/10.1007/s10870-008-9508-6