TY - JOUR
T1 - 3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl] piperazin-1-yl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
AU - El-Emam, Ali A.
AU - Al-Tamimi, Abdul Malek S.
AU - Alrashood, Khalid A.
AU - Ng, Seik Weng
AU - Tiekink, Edward R.T.
PY - 2013/5
Y1 - 2013/5
N2 - In the title compound, C25H32F3N 5S, two independent molecules comprise the asymmetric unit and are related across a pseudo-centre of inversion. The piperazine rings have chair conformations with each N-bound substituent occupying an equatorial position so that the dihedral angles between the planes of the triazole and benzene ring are 78.20 (19) and 79.10 (19)° for the two independent molecules, indicating that the molecules have an L-shape. In the crystal, a three-dimensional architecture is stabilized by C - H⋯π interactions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.27 (9).
AB - In the title compound, C25H32F3N 5S, two independent molecules comprise the asymmetric unit and are related across a pseudo-centre of inversion. The piperazine rings have chair conformations with each N-bound substituent occupying an equatorial position so that the dihedral angles between the planes of the triazole and benzene ring are 78.20 (19) and 79.10 (19)° for the two independent molecules, indicating that the molecules have an L-shape. In the crystal, a three-dimensional architecture is stabilized by C - H⋯π interactions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.27 (9).
UR - https://www.scopus.com/pages/publications/84877283058
U2 - 10.1107/S1600536813009495
DO - 10.1107/S1600536813009495
M3 - Article
AN - SCOPUS:84877283058
SN - 1600-5368
VL - 69
SP - o695-o696
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 5
ER -