Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione
2018 ◽
Vol 74
(6)
◽
pp. 812-815
◽
Keyword(s):
In the title compound, C13H11N3S2, the phenyl ring is twisted from the 1,2,4-triazole plane by 63.35 (9)° and by 47.35 (9)° from the thiophene plane. In the crystal, chains of molecules running along the c-axis direction are formed by N—H...S interactions [graph-set motif C(4)]. The 1,2,4-triazole and phenyl rings are involved in π–π stacking interactions [centroid–centroid distance = 3.4553 (10) Å]. The thiophene ring is involved in C—H...S and C—H...π interactions. The intermolecular interactions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are H...H (35.8%), followed by S...H/H...S (26.7%) and C...H/H...C (18.2%).
2018 ◽
Vol 74
(12)
◽
pp. 1815-1820
2019 ◽
Vol 75
(1)
◽
pp. 21-25
◽
2014 ◽
Vol 70
(7)
◽
pp. o806-o806
◽
Keyword(s):
2019 ◽
Vol 75
(1)
◽
pp. 71-74
◽
2014 ◽
Vol 70
(8)
◽
pp. o861-o862
◽
Keyword(s):
2013 ◽
Vol 69
(11)
◽
pp. o1719-o1720
Keyword(s):
2019 ◽
Vol 75
(10)
◽
pp. 1544-1547
◽
2019 ◽
Vol 75
(7)
◽
pp. 951-956
◽
2019 ◽
Vol 75
(8)
◽
pp. 1190-1194
2018 ◽
Vol 74
(5)
◽
pp. 752-756
◽
Keyword(s):