Crystal structure of N-[4-amino-5-cyano6-(methylsulfanyl) pyridin-2-yl]-2-(cyclohexylsulfanyl) acetamide


Mague J. T. , Mohamed S. K. , AKKURT M. , Hussein B. R. M. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.70, 2014 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 70
  • Publication Date: 2014
  • Doi Number: 10.1107/s1600536814018534
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Abstract

In the title molecule, C15H20N4OS2, the acetamido fragment is nearly coplanar with the pyridyl ring [C-N-C-C torsion angle = -4.1 (2)degrees], while the cyclohexylsulfanyl portion protrudes from this plane [N-C-C-S torsion angle = -40.8 (6)degrees]. In the crystal, alternating pairwise N-H center dot center dot center dot O and N-H center dot center dot center dot N hydrogen bonds across inversion centres form chains along [101], which are associated into stepped layers via offset pi-pi stacking between pyridyl rings [centroid-centroid distance = 3.566 (1) angstrom]. The cyclohexyl group and the two atoms of the S-C bond attached to it are disordered over two sets of sites with site-occupancy factors of 0.8845 (18) and 0.1155 (18).