(S)-8-chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1H-4,5,6,7-tetrahydro-imidazo[4,5,1-jk] [1,4]benzodiazepinium bromide methanol solvate

Authors
Peeters, OM Blaton, NM De Ranter, CJ
Citation
Om. Peeters et al., (S)-8-chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1H-4,5,6,7-tetrahydro-imidazo[4,5,1-jk] [1,4]benzodiazepinium bromide methanol solvate, ACT CRYST C, 55, 1999, pp. 1322-1325
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
55
Year of publication
1999
Part
8
Pages
1322 - 1325
Database
ISI
SICI code
0108-2701(19990815)55:<1322:(>2.0.ZU;2-3
Abstract
The crystal structure of the title compound, C16H21Cl-N3S+. Br-. CH3OH, the hydrobromide salt of (S)-8-Cl-TIBO (tivirapine), reveals a distorted boat- sofa conformation for the diazepine ring, with the methyl group and the 3-m ethylbut-2-enyl side chain in equatorial and axial positions, respectively. The protonated N atom has the S configuration. A conformational analysis o f (S)-8-Cl-TIBO shows the conformational flexibility of this HIV-1 inhibito r.