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Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)carbamate.

ABSTRACT: In the title compound, C14H17N3O3, the dihedral angle between the benzene ring and the five-membered di-hydro-pyrazole ring is 52.26?(9)°. The ethyl ester group is approximately planar (r.m.s. deviation 0.0568?Å) and subtends an angle 67.73?(8)° to the pyrazole ring. In the crystal, molecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. Weaker C-H?O contacts link these dimers into a three-dimensional network of mol-ecules stacked along the a-axis direction. Offset ?-? stacking inter-actions between the benzene rings [centroid-to-centroid distance = 3.8832?(12)?Å] further stabilize the crystal packing.

SUBMITTER: Danish M

PROVIDER: S-EPMC4438802 | biostudies-other | 2015 Apr

REPOSITORIES: biostudies-other

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Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)carbamate.

Danish Muhammad M Tahir Muhammad Nawaz MN Anwar Uzma U Raza Muhammad Asam MA

Acta crystallographica. Section E, Crystallographic communications 20150328 Pt 4

In the title compound, C14H17N3O3, the dihedral angle between the benzene ring and the five-membered di-hydro-pyrazole ring is 52.26 (9)°. The ethyl ester group is approximately planar (r.m.s. deviation 0.0568 Å) and subtends an angle 67.73 (8)° to the pyrazole ring. In the crystal, molecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. Weaker C-H⋯O contacts link these dimers into a three-dimensional network of mol-ecules stacked along the ...[more]

PMID: 26029449

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