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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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]. |
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