Title of article :
Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione
Author/Authors :
Abdelrazeq, Alaa S. Department of Medicinal Chemistry - Faculty of Pharmacy - University of Mansoura, Egypt , Ghabbour, Hazem A. Department of Medicinal Chemistry - Faculty of Pharmacy - University of Mansoura, Egypt , El-Emam, Ali A. Department of Medicinal Chemistry - Faculty of Pharmacy - University of Mansoura, Egypt , Osman, Doaa Ahmed Department of Physical and Analytical Chemistry - Faculty of Chemistry - Oviedo University-CINN, Spain , Garcia-Granda, Santiago Department of Physical and Analytical Chemistry - Faculty of Chemistry - Oviedo University-CINN, Spain
Abstract :
In the title compound, C18H19BrFN3S, the 1,2,4-triazole ring is nearly planar with a maximum deviation of −0.009 (3) and 0.009 (4) Å, respectively, for the S-bound C atom and the N atom bonded to the bromofluorophenyl ring. The phenyl and triazole rings are almost perpendicular to each other, forming a dihedral angle of 89.5 (2)°. In the crystal, the molecules are linked by weak C—H⋯π(phenyl) interactions, forming supramolecular chains extending along the c-axis direction. The crystal packing is further consolidated by intermolecular N—H⋯S hydrogen bonds and by weak C—H⋯S interactions, yielding double chains propagating along the a-axis direction. The crystal studied was refined as a racemic twin.
Keywords :
crystal structure , adamantane , triazole
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
