organic compounds
Open access
The title compound, C12H10BrN3O2S, exists in an E configuration with respect to the C=N bond. The approximately planar 2H-chromene ring system [maximum deviation = 0.059 (1) Å] is inclined at a dihedral angle of 17.50 (5)° with respect to the mean plane through the thiosemicarbazide unit and an intramolecular N—HN hydrogen bond generates an S(5) ring. In the crystal structure, adjacent molecules are linked by N—HS hydrogen bonds, forming [010] chains built up from R22(8) loops, such that each S atom accepts two such bonds. These chains are further interconnected into sheets parallel to the ab plane via short BrO interactions [3.0732 (13) Å] and a π–π aromatic stacking interaction [3.7870 (8) Å] is also observed.
organic compounds
Open access
In the title compound, C19H13N3O3S·0.5H2O, both organic molecules (A and B) exist in E configurations with respect to the acyclic C=N bond and have similar overall conformations. In molecule A, the essentially planar thiazole ring [maximum deviation = 0.010 (2) Å] is inclined at interplanar angles of 11.44 (10) and 32.50 (12)°, with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for molecule B are 0.002 (2) Å, 7.71 (9) and 12.51 (12)°. In the crystal structure, neighbouring molecules are interconnected into infinite layers lying parallel to (010) by O—HO, O—HN, N—HO and C—HO hydrogen bonds. Further stabilization of the crystal structure is provided by weak intermolecular C—Hπ and π–π [centroid–centroid distance = 3.6380 (19) Å] interactions.