Acta Crystallographica Section B

Structural Science

Volume 58, Part 5 (October 2002)

Acta Cryst. (2002). B58, 823-834 [doi:10.1107/S0108768102011928]

Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique

M. Tremayne, C. C. Seaton and C. Glidewell

Abstract: The structures of three substituted arenesulfonamides have been solved from laboratory X-ray powder diffraction data, using a new direct-space structure solution method based on a differential evolution algorithm, and refined by the Rietveld method. In 2-toluenesulfonamide, C₇H₉NO₂S (I) (tetragonal I4₁/a, Z = 16), the molecules are linked by N-HO=S hydrogen bonds into a three-dimensional framework. In 3-nitrobenzenesulfonamide, C₆H₆N₂O₄S (II) (monoclinic P2₁, Z = 2), N-HO=S hydrogen bonds produce molecular ladders, which are linked into sheets by C-HO=S hydrogen bonds: the nitro group does not participate in the hydrogen bonding. Molecules of 4-nitrobenzenesulfonamide, C₆H₆N₂O₄S (III) (monoclinic P2₁/n, Z = 4), are linked into sheets by four types of hydrogen bond, N-HO=S, N-HO(nitro), C-HO=S and C-HO(nitro), and the sheets are weakly linked by aromatic [bold pi] stacking interactions.

Online 24 September 2002


	Rietveld powder data file (CIF format) (48.3 kbytes) Contains datablock otols

	Rietveld powder data file (CIF format) (56.3 kbytes) Contains datablock 4NBS

	Rietveld powder data file (CIF format) (37.5 kbytes) Contains datablock 3NBS

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