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

Joel T Mague; Shaaban K Mohamed; Mehmet Akkurt; Talaat I El-Emary; Mustafa R Albayati

doi:10.1107/S1600536814023502

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

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 31;70(Pt 11):o1214-5. doi: 10.1107/S1600536814023502. eCollection 2014 Nov 1.

Authors

Joel T Mague¹, Shaaban K Mohamed², Mehmet Akkurt³, Talaat I El-Emary⁴, Mustafa R Albayati⁵

Affiliations

¹ Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
² Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
³ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
⁴ Department of Chemistry, Faculty of Science, Assiut University, 71515 Assiut, Egypt.
⁵ Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.

Abstract

The title compound, C16H16N4O2, crystallizes with two mol-ecules 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 mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7 (2) and -36.9 (2)°. Each mol-ecule features an intra-molecular N-H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, C-H⋯O and C-H⋯N inter-actions direct the packing into a layered structure parallel to (110).

Keywords: acrylate compounds; crystal structure; disorder; pyrazole ring.