Al-Wabli, Reem I. and El-Emam, Ali A. and Alroqi, Obaid S. and C. S., Chidan Kumar and Fun, Hoong Kun
(2015)
Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione.
Acta Crystallographica Section E: Crystallographic Communications, 71.
0115-0116.
ISSN 2056-9890
Abstract
The title compound, C18H20ClN3S, is a functionalized triazoline-
3-thione derivative. The benzene ring is almost perpendicular
to the planar 1,2,4-triazole ring [maximum deviation =
0.007 (1) A ° ] with a dihedral angle of 89.61 (5)� between them
and there is an adamantane substituent at the 3-position of the
triazolethione ring. In the crystal, N—H� � �S hydrogenbonding
interactions link the molecules into chains extending
along the c-axis direction. The crystal packing is further
stabilized by weak C—H� � �� interactions 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.
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