Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 11 (November 2007)

organic compounds

 

Hirshfeld surface analysis of two bendroflumethiazide solvates

F. P. A. Fabbiani, C. K. Leech, K. Shankland, A. Johnston, P. Fernandes, A. J. Florence and N. Shankland

Abstract: Bendroflumethiazide, or 3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, is reported to crystallize as 1:1 solvates with acetone, C₁₅H₁₄F₃N₃O₄S₂·C₃H₆O, and N,N-dimethylformamide, C₁₅H₁₄F₃N₃O₄S₂·C₃H₇NO. A detailed investigation of the crystal packing and intermolecular interactions is presented by means of Hirshfeld surface analysis. This analysis confirms the atomic positions of methyl H atoms of the solvent molecules that were inferred from the X-ray data and provides a useful tool for structure validation.

Formula: C₁₅H₁₄F₃N₃O₄S₂·C₃H₆O and C₁₅H₁₄F₃N₃O₄S₂·C₃H₇NO

	Structure factor file (CIF format) (234.9 kbytes) [ doi:10.1107/S0108270107044812/bm3035Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (230.5 kbytes) [ doi:10.1107/S0108270107044812/bm3035IIsup3.hkl ] Contains datablock II

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