4-Phenyl-2,5,5a,6,7,8,9,9a-hexa-hydro-1H-1,5-benzodiazepine-2-thione ethanol monosolvate

摘要

In the solvated title compound, C 15 H 18 N 2 S·C 2 H 5 OH, the seven-membered ring has a twisted envelope conformation and the cyclo-hexyl ring has a chair conformation. In the crystal, N—H?O and O—H?S hydrogen bonds as well as C—H? π (ring) inter-actions form helical chains in which the thione and solvent ethanol mol-ecules alternate. These chains are formed into layers parallel to (101) by inversion-related pairs of N—H?S hydrogen bonds. The ethanol solvent mol-ecule is disordered over two sets of sites [occupancy ratio 0.880?(8): 0.120?(8)] with the oxygen atom in common.