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

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.70, 2014 (ESCI)

• Publication Type: Article / Article
• Volume: 70
• Publication Date: 2014
• Doi Number: 10.1107/s1600536814023502
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

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).