Crystal Research and Technology
Cryst. Res. Technol. 38, 182 (2003) - Abstract -

Crystal structure of 3-hydroxy methyl 4,6-dimethoxy-9-phenylsulfonyl-carbazole

L. Govindasamy, V. Rajakannan, D. Velmurugan, A. K. Mohanakrishnan*, and P. C. Srinivasan*

Department of Crystallography and Biophysics University of Madras, Guindy Campus, Chennai-600 025, India
*Department of Orgsnic Chemistry, University of Madras, Guindy Campus, Chennai-600 025, India

Keywords    phenylsulfonyl, tetrahedral configuration, carbazole alkaloids, sulfonamides, DNA intercalation, N-phenylsulfonamide

The crystal structure of 3-Hydroxy methyl 4,6-dimethoxy-9-phenylsulfonyl-carbazole. (C21H19NO5S) has been determined [CCDC 194425]. The compound crystallizes from methanol in the monoclinic system, space group I2/c, with unit cell parameters: a = 20.498(2), b = 9.258(2), c = 21.866(3)Å, β = 116.450(10)º, Z = 8, V = 3715.2(10)Å3. The crystal structure was solved by direct methods and refined by full-matrix least squares to a final R-value of 0.050 with 3508 unique reflections. The planar carbazole ring fragment is inclined at an angle of 79.9(1)º to the phenylsulfonyl group. The sum of the angle about N is 351.6(2)º. The atoms linked to the central hexavalent S atom are arranged in a tetrahedral configuration with the larger deviations in the O-S-O angles [O1-S-O2 = 119.7(2)º] and the O1-S-N and O2-S-N angles [106.1(2) and 106.9(1)º, respectively].



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