(2Z)-1-(5-Hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(4-meth-oxy-anilino)but-2-en-1-one.

ABSTRACT: The central residue in the title compound, C(21)H(21)N(3)O(3), is close to planar (r.m.s. deviation = 0.0753?Å for all non-H atoms from OH to NH inclusive): the hy-droxy, amino and carbonyl groups all lie to the same side of the mol-ecule (the conformation about the ethene bond is Z), facilitating the formation of intra-molecular O-H?O and N-H?O hydrogen bonds that close S(6) rings. However, overall the mol-ecule is twisted as the terminal aromatic rings are not coplanar with the central plane [dihedral angles = 20.55?(5) and 80.90?(4)° for the N-bound phenyl ring and the meth-oxy-benzene ring, respectively]. The dihedral angle between the rings is 82.14?(7)°. Supra-molecular layers in the ac plane mediated by C-H?? inter-actions are found in the crystal.

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3200693 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature