Al-Omary, Fatmah A. M. and El-Emam, Ali A. and Ghabbour, Hazem A. and C. S., Chidan Kumar and Ching, Kheng Quah and Fun, Hoong Kun
(2015)
Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-
2,3-dihydro-1,3,4-oxadiazole-2-thione.
Acta Crystallographica Section E: Crystallographic Communications, 71.
0175-0176.
ISSN 2056-9890
Abstract
The title 1,3,4-oxadiazole-2-thione derivative, C18H20N4OS2,
crystallized with two independent molecules (A and B) in the
asymmetric unit. The 2-thienyl rings in both molecules are
rotationally disordered over two orientations by approximately
180� about the single C—C bond that connects it to the
oxadiazole thione ring; the ratios of site occupancies for the
major and minor components were fixed in the structure
refinement at 0.8:0.2 and 0.9:0.1 in molecules A and B,
respectively. The 1,3,4-oxadiazole-2-thione ring forms dihedral
angles of 7.71 (16), 10.0 (11) and 77.50 (12)� (molecule
A), and 6.5 (3), 6.0 (9) and 55.30 (12)� (molecule B) with the
major and minor parts of the disordered thiophene ring and
the mean plane of the adjacent piperazine ring, respectively,
resulting in approximately V-shaped conformations for the
molecules. The piperazine ring in both molecules adopts a
chair conformation. The terminal benzene ring is inclined
towards the mean plane of the piperazine ring with N—C—
C—C torsion angles of �58.2 (3) and �66.2 (3)� in molecules
A and B, respectively. In the crystal, no intermolecular
hydrogen bonds are observed. The crystal packing features
short S� � �S contacts [3.4792 (9) A ° ] and �–� interactions
[3.661 (3), 3.664 (11) and 3.5727 (10) A ° ], producing a threedimensional
network.
Actions (login required)
 |
View Item |
![[img]](http://eprints.usm.my/style/images/fileicons/application_pdf.png)
