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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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). |
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