Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate


Mustafa G., AKKURT M. , Khan I. U. , Muhmood T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.68, 2012 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 68
  • Publication Date: 2012
  • Doi Number: 10.1107/s1600536812017126
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Abstract

The title molecule, C16H14N2O4S, adopts an L-shaped conformation, with the central C-S-N-C torsion angle being -69.1 (3)degrees. The two benzene rings form a dihedral angle of 89.94 (15)degrees. The molecular conformation may be influenced by a weak intramolecular C-H center dot center dot center dot O hydrogen bond which generates an S(6) ring motif. In the crystal, molecules are linked by N-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds, forming chains propagating along the b axis. Weak C-H center dot center dot center dot N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1).