Ontology highlight
ABSTRACT:
SUBMITTER: Zhu H
PROVIDER: S-EPMC3213630 | biostudies-literature | 2011 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20110730 Pt 8
In the title compound, C(25)H(23)N(3)O(3)S, an intra-molecular N-H⋯O inter-action generates an S(6) ring, which stabilizes the enamine-keto form of the compound. This S(6) ring and the pyrazole ring are essentially coplanar, making a dihedral angle of 1.49 (6)°. The bond lengths within the S(6) ring of the mol-ecule lie between classical single- and double-bond lengths, indicating extensive conjugation. The structure exhibits a thienyl-ring flip disorder, with occupancy factors in the ratio 64.7 ...[more]