3-(1-Adamant-yl)-4-amino-1-(2-benzoyl-1-phenyl-eth-yl)-1H-1,2,4-triazol-5(4H)-thione.

ABSTRACT: In the title compound, C(27)H(30)N(4)OS, the 3-(adamantan-1-yl)-4-amino-1H-1,2,4-triazole-5(4H)-thione unit and the O atom are each disordered over two sets of sites with refined site-occupancies of 0.7630?(13) and 0.2370?(13). The 1,2,4-triazole ring of the major component forms dihedral angles of 62.61?(17) and 61.93?(16)° with the benzene rings, while that of the minor component makes corresponding angles of 86.3?(4) and 79.1?(4)°. The dihedral angle between the benzene rings is 39.21?(16)°. The mol-ecular structure is stabilized by an intra-molecular C-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?S hydrogen bonds.

SUBMITTER: Lahsasni S 

PROVIDER: S-EPMC3344558 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature