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Crystal structure of (E)-3-[4-(benzyl­idene­amino)-5-sulfanyl­idene-3-(p-tol­yl)-4,5-di­hydro-1H-1,2,4-triazol-1-yl]-3-(4-meth­oxy­phen­yl)-1-phenyl­propan-1-one

The title compound, C(32)H(28)N(4)O(2)S, crystallizes as a racemate. In the mol­ecule, the bond-angle sum at the C atom of the sulfanyl­idene 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 essenti...

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Detalles Bibliográficos
Autor principal: Wang, Hewen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719989/
https://www.ncbi.nlm.nih.gov/pubmed/26870508
http://dx.doi.org/10.1107/S2056989015023804
Descripción
Sumario:The title compound, C(32)H(28)N(4)O(2)S, crystallizes as a racemate. In the mol­ecule, the bond-angle sum at the C atom of the sulfanyl­idene 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 mol­ecules. The crystal packing is dominated by weak C—H⋯O and C—H⋯N inter­actions, leading to a three-dimensional network structure. An intra­molecular C—H⋯S inter­action also occurs.