N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)-2-phenyl-acetamide.

ABSTRACT: The title compound, C19H19N3O2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the pyrazole ring adopts a slightly disordered half-chair conformation while in B it is planar [r.m.s. deviation = 0.0386?(15)?Å]. The dihedral angle between the mean planes of the two phenyl rings is 56.2?(8) in A and 38.2?(3)° in B. The N-phenyl substituent on the pyrazole ring is twisted by 46.5?(2) in A and 58.6?(4)° in B while the extended phenyl ring is twisted by 82.2?(8) in A and 87.5?(9)° in B. The mean plane of the amide group forms an angle of 74.8?(3) in A and 67.7?(1)° in B with respect to the phenyl ring. In addition, the amide group is rotated by 51.4?(1) in A and 53.6?(2)° in B from the the mean plane of the pyrazole ring. In the crystal, the two molecules are linked via N-H?O hydrogen bonds, supported by weak C-H?O inter-actions, forming dimers enclosing an R 2 (2)(10) ring motif. The dimers are linked via C-H?O inter-actions, forming a three-dimensional structure.

SUBMITTER: Kaur M 

PROVIDER: S-EPMC3885014 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature