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 (ESCI) identifier identifier

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).