4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine-2-thione ethanol monosolvate
2018
In the solvated title compound, C15H18N2S·C2H5OH, the seven-membered ring has a twisted envelope conformation and the cyclohexyl ring has a chair conformation. In the crystal, N—H⋯O and O—H⋯S hydrogen bonds as well as C—H⋯π(ring) interactions form helical chains in which the thione and solvent ethanol molecules alternate. These chains are formed into layers parallel to (101) by inversion-related pairs of N—H⋯S hydrogen bonds. The ethanol solvent molecule is disordered over two sets of sites [occupancy ratio 0.880 (8): 0.120 (8)] with the oxygen atom in common.
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