Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



hg5327 scheme

Acta Cryst. (2013). E69, o1184-o1185    [ doi:10.1107/S1600536813017467 ]

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

N. Selvakumaran, R. Karvembu, S. W. Ng and E. R. T. Tiekink

Abstract: Two independent molecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C23H21N3O2S. 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...[pi] and [pi]-[pi] interactions [inter-centroid distance = 3.9157 (12) Å].


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