Crystal structure of 9-benzenesulfonyl-1-keto-3-thia-1,2,3,4-tetrahydrocarbazole

Citation
L. Govindasamy et al., Crystal structure of 9-benzenesulfonyl-1-keto-3-thia-1,2,3,4-tetrahydrocarbazole, CRYST RES T, 34(9), 1999, pp. 1229-1234
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CRYSTAL RESEARCH AND TECHNOLOGY
ISSN journal
02321300 → ACNP
Volume
34
Issue
9
Year of publication
1999
Pages
1229 - 1234
Database
ISI
SICI code
0232-1300(1999)34:9<1229:CSO9>2.0.ZU;2-5
Abstract
The crystal structure of 9-benzenesulfonyl-1-keto-3-thia-1,2,3,4-tetrahydro carbazole (C17H13NO3S2), has been determined. The compound forms crystals o f parallelopiped shape and crystallizes in triclinic space group pi with ce ll dimensions a = 7.887(6), b = 9.210(6), c = 11.280(5) Angstrom, alpha = 1 06.47(5), beta = 75.72(6), gamma = 101.57(4)degrees V = 753.9(8) Angstrom(3 ), Z = 2, D-cal = 1.513 Mgm(-3) and T = 298 K. The structure was solved by direct methods and refined by full-matrix least-squares to a final R value of 0.066 with 286 I unique reflections. The heterocyclic six-membered ring of the carbazole moiety adopts half-boat conformation. The phenylsulfonyl s ubstituent occupies equatorial position at N and is inclined by an angle of 71.2(5)degrees to the carbazole moiety. The N atom lies 0.162(3) Angstrom out of the plane of the three atoms bonded to it. The S1 atom possesses usu al distorted tetrahedral geometry.