| Literature DB >> 22091207 |
Hualing Zhu1, Xinxin Zhao, Zhan Wang, Junjie Ren, Miao Zhang.
Abstract
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 (3):35.3 (3).Entities:
Year: 2011 PMID: 22091207 PMCID: PMC3213630 DOI: 10.1107/S1600536811029904
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368