Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title compound, C18H20ClN3S, is a functionalized triazoline-3-thione derivative. The benzene ring is almost perpendic-ular to the planar 1,2,4-triazole ring [maximum deviation = 0.007?(1)?Å] with a dihedral angle of 89.61?(5)° between them and there is an adamantane substituent at the 3-position of the triazole-thione ring. In the crystal, N-H?S hydrogen-bonding inter-actions link the mol-ecules into chains extending along the c-axis direction. The crystal packing is further stabilized by weak C-H?? inter-actions that link adjacent chains into a two-dimensional structure in the bc plane. The crystal studied was an inversion twin with a 0.50?(3):0.50?(3) domain ratio.

SUBMITTER: Al-Wabli RI 

PROVIDER: S-EPMC4384613 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature