Abstract
In the title compound, C22H19N4S+·Br−·H2O, the dihedral angles between the phenyl groups and the mean plane of the thiazolylidene ring are 34.69 (13) and 64.27 (13)°, respectively, while that between the thiazolylidene and pyridinium rings is 14.73 (13)°. In the crystal, zigzag chains of alternating bromide ions and water molecules associate through O—H⋯Br interactions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N—H⋯O, C—H⋯N and C—H⋯Br hydrogen bonds.
Highlights
C22H19N4S+ÁBrÀÁH2O, the dihedral angles between the phenyl groups and the mean plane of the thiazolylidene ring are 34.69 (13) and 64.27 (13), respectively, while that between the thiazolylidene and pyridinium rings is 14.73 (13)
Zigzag chains of alternating bromide ions and water molecules associate through O—HÁ Á ÁBr interactions run in channels approximately parallel to the b axis
Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z; (iii) −x+3/2, y−3/2, z−1/2
Summary
Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.004 A; R factor = 0.027; wR factor = 0.060; data-to-parameter ratio = 20.5. C22H19N4S+ÁBrÀÁH2O, the dihedral angles between the phenyl groups and the mean plane of the thiazolylidene ring are 34.69 (13) and 64.27 (13), respectively, while that between the thiazolylidene and pyridinium rings is 14.73 (13). Zigzag chains of alternating bromide ions and water molecules associate through O—HÁ Á ÁBr interactions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N—HÁ Á ÁO, C—HÁ Á ÁN and C—HÁ Á ÁBr hydrogen bonds
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