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3-{[(Di­benzyl­carbamo­thio­yl)amino]­carbon­yl}benzamide

Two independent mol­ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C(23)H(21)N(3)O(2)S. The terminal amide substituent is coplanar with the attached benzene ring [the O—C—C—C torsion angles are 174.0 (2) (A) and 6.3 (3)° (B)]. In the same way, t...

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Detalles Bibliográficos
Autores principales: Selvakumaran, N., Karvembu, R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770439/
https://www.ncbi.nlm.nih.gov/pubmed/24046724
http://dx.doi.org/10.1107/S1600536813017467
Descripción
Sumario:Two independent mol­ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C(23)H(21)N(3)O(2)S. The terminal amide substituent is coplanar with the attached benzene ring [the O—C—C—C torsion angles are 174.0 (2) (A) and 6.3 (3)° (B)]. In the same way, the central amide group [C—C—C—O = 7.8 (3) (A) and 11.5 (3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thio­amide residues [C—N—C—S = −109.29 (19) (A) and −112.29 (19)° (B)]. In the crystal, supra­molecular chains along [100] are formed by N—H⋯O and N—H⋯S hydrogen bonding. These are connected into a three-dimensional architecture by C—H⋯π and π–π inter­actions [inter-centroid distance = 3.9157 (12) Å].