Back to Search Start Over

Crystal structure of (E)-3-[4-(benzyl-idene-amino)-5-sulfanyl-idene-3-(p-tol-yl)-4,5-di-hydro-1H-1,2,4-triazol-1-yl]-3-(4-meth-oxy-phen-yl)-1-phenyl-propan-1-one.

Authors :
Wang H
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2015 Dec 24; Vol. 71 (Pt 12), pp. o1080-1. Date of Electronic Publication: 2015 Dec 24 (Print Publication: 2015).
Publication Year :
2015

Abstract

The title compound, C32H28N4O2S, crystallizes as a racemate. In the mol-ecule, the bond-angle sum at the C atom of the sulfanyl-idene entity bound to the triazole ring is 360°, with an annular N-C-N bond angle of 102.6 (2)° and two larger N-C-S angles of 127.3 (2) and 130.1 (2)°. The essentially planar 1,2,4-triazole ring (r.m.s. deviation = 0.013 Å) is nearly perpendicular to the phenylpropanone and methoxyphenyl rings , making dihedral angles of 76.9 (2) and 85.2 (2)°, respectively and subtends dihedral angles of 17.6 (2) and 40.3 (2)° with the tolyl and benzylideneamino rings, respectively. There is no π-π stacking between the mol-ecules. The crystal packing is dominated by weak C-H⋯O and C-H⋯N inter-actions, leading to a three-dimensional network structure. An intra-molecular C-H⋯S inter-action also occurs.

Details

Language :
English
ISSN :
2056-9890
Volume :
71
Issue :
Pt 12
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
26870508
Full Text :
https://doi.org/10.1107/S2056989015023804