Ethyl 1-(4-methyl-phen-yl)-5-phenyl-4-phenyl-sulfon-yl-1H-pyrazole-3-carboxyl-ate.

ABSTRACT: The title compound, C(25)H(22)N(2)O(4)S, features a tetra-substituted pyrazole ring. The dihedral angles formed between the five-membered ring (r.m.s. deviation = 0.007?Å) and the N- and C-bound phenyl rings are 48.10?(7) and 72.01?(7) °, respectively, indicating that the planes through the residues are significantly twisted from the plane through the heterocycle. The ester-CO(2) group is also twisted out of this plane, with an O-C-C-N torsion angle of -29.04?(11)°. The sulfonyl-O atoms lie to one side of the pyrazole plane and the sulfonyl-phenyl ring to the other. The dihedral angle between the two ring planes is 70.63?(7) °. Supra-molecular arrays are formed in the crystal structure sustained by C-H?O and C-H??(pyrazole) inter-actions and methyl-C-H??(N-bound benzene) contacts.

SUBMITTER: Abdel-Aziz HA 

PROVIDER: S-EPMC3201465 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature