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

Mague JT, Mohamed SK, Akkurt M, El-Emary TI, Albayati MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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.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).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.

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).

No MeSH data available.


Related in: MedlinePlus

Packing viewed towards the [110] plane with intramolecular N—H···O hydrogen bonds shown as blue dotted lines and intermolecular C—H···O and C—H···N interactions as red and black dotted lines, respectively.
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Fap2: Packing viewed towards the [110] plane with intramolecular N—H···O hydrogen bonds shown as blue dotted lines and intermolecular C—H···O and C—H···N interactions as red and black dotted lines, respectively.


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

Mague JT, Mohamed SK, Akkurt M, El-Emary TI, Albayati MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Packing viewed towards the [110] plane with intramolecular N—H···O hydrogen bonds shown as blue dotted lines and intermolecular C—H···O and C—H···N interactions as red and black dotted lines, respectively.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257344&req=5

Fap2: Packing viewed towards the [110] plane with intramolecular N—H···O hydrogen bonds shown as blue dotted lines and intermolecular C—H···O and C—H···N interactions as red and black dotted lines, respectively.
Bottom Line: 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.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).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.

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).

No MeSH data available.


Related in: MedlinePlus