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Hirshfeld surface analysis of two bendroflumethiazide solvates
Authors:Francesca P A Fabbiani  Charlotte K Leech  Kenneth Shankland  Andrea Johnston  Philippe Fernandes  Alastair J Florence  Norman 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.
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