Research Article: 2-Benzoylmethyl-4-[(2-benzylidene­ethylidene)amino]-5-(2-thienylmethyl)-2H-1,2,4-triazol-3(4H)-one

Date Published: May 01, 2009

Publisher: International Union of Crystallography

Author(s): Reşat Ustabaş, Yasemin Ünver, Nevin Suleymanoğlu, Ufuk Çoruh, Kemal Sancak.

http://doi.org/10.1107/S1600536809012719

Abstract

In the mol­ecule of the title compound, C24H20N4O2S, the dihedral angle between the triazole and thio­phene rings is 66.80 (4)° and the dihedral angle between the two benzene rings is 63.37 (4)°. An intra­molecular C—H⋯O inter­action results in the formation of a six-membered ring. A π⋯π contact between the benzene rings, [centroid–centroid distance = 3.918 (2) Å] may stabilize the structure. Weak C—H⋯π inter­actions are also present. The S, C and H atoms of the thiophene ring are disordered over two positions and were refined with occupancies of 0.654 (3) and 0.346 (3).

Partial Text

For general background to 1,2,4-triazoles, see: Clemons et al. (2004 ▶); Colanceska-Ragenovic et al. (2001 ▶); Goss & Strasser-Weippl (2004 ▶); Santen (2003 ▶); Tsukuda et al. (1998 ▶); Ünver et al. (2008 ▶); Zhu et al. (2000 ▶). For related structucres, see: Çoruh et al. (2003 ▶); Ünver et al. (2006 ▶); Yılmaz et al. (2006 ▶); Vrábel et al. (2005 ▶). For bond-length data, see: Allen et al. (1987 ▶).

Source:

http://doi.org/10.1107/S1600536809012719