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

The title compound, C(16)H(16)N(4)O(2), 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...

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Detalles Bibliográficos
Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, El-Emary, Talaat I., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257344/
https://www.ncbi.nlm.nih.gov/pubmed/25484836
http://dx.doi.org/10.1107/S1600536814023502
Descripción
Sumario:The title compound, C(16)H(16)N(4)O(2), 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⋯O hydrogen bond, which closes an S(6) ring. In the crystal, C—H⋯O and C—H⋯N inter­actions direct the packing into a layered structure parallel to (110).