Crystal structure of ethyl (2Z)-2-cyano-3[( 3-methyl-1-phenyl-1H-pyrazol-5yl) amino] prop-2-enoate

Mague J. T. , Mohamed S. K. , AKKURT M. , Ei-Emary T. I. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.70, 2014 (ESCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 70
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1107/s1600536814023502


The title compound, C16H16N4O2, crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2): 0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two molecules, as indicated by the syn N-N-C-ar-C-ar (ar = aromatic) torsion angles of 39.7 (2) and - 36.9 (2) -. Each molecule features an intramolecular N - H center dot center dot center dot O hydrogen bond, which closes an S(6) ring. In the crystal, C - H center dot center dot center dot O and C - H center dot center dot N interactions direct the packing into a layered structure parallel to (110).