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

Autor: Sridhar M. Anandalwar, G. Sarala, S. B. Benaka Prasad, S. Chandrappa, N. R. Thimmegowda, C. S. Ananda Kumar, J. Shashidhara Prasad, Kanchugarakoppal S. Rangappa
Rok vydání: 2008
Předmět:
Zdroj: Journal of Chemical Crystallography. 39:484-488
ISSN: 1572-8854
1074-1542
DOI: 10.1007/s10870-008-9508-6
Popis: 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) A, b = 9.297(7) A, c = 14.184(8) A, V = 1095.98(1) A3 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. 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.
Databáze: OpenAIRE
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