Structure of (+)-(7S,SS)-1,2,3,5,6,7-hexahydro-7-methyl-8-(p-tolylsulfinyl)-5-indoli zinone.
C16H19NO2S, Mr = 289.39, orthorhombic, P2(1)2(1)2(1), a = 11.467 (5), b = 17.207 (8), c = 7.566 (4) A, V = 1493 (2) A3, Z = 4, Dx = 1.29 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 2.07 cm-1, F(000) = 616, T = 296 K, R = 0.049, 928 unique observed reflections. The structure determination combined with the known S configuration at the sulfur site discloses the stereochemistry of the title compound to be 7S and SS.
Hua
D H
DH
Department of Chemistry, Kansas State University, Manhattan 66506.
Bharathi
S N
SN
Tsujimoto
A
A
Robinson
P D
PD
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003437:Crotonates; D003460:Crystallization; D007212:Indolizines; D008968:Molecular Conformation; D015394:Molecular Structure; D014105:Tosyl Compounds; D014961:X-Ray Diffraction
D003437:Crotonates; D007212:Indolizines; D014105:Tosyl Compounds; C066145:1,2,3,5,6,7-hexahydro-7-methyl-8-(4-tolylsulfinyl)-5-indolizinone