| Literature DB >> 23634047 |
B Balakrishnan1, Meganathan Nandakumar, Pandamangalam R Seshadri, Arasambattu K Mohanakrishnan.
Abstract
The title compound, C25H20O5S, is the product of a Diels-Alder reaction. The mol-ecule consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both show an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The thio-phene ring is disordered over two sets of sites with an occupancy ratio of 0.53 (1):0.47 (1). The dihedral angles between the 4-methyl-phenyl ring and the major and minor components of the thio-phene ring are 66.3 (1) and 67.9 (1)°, respectively, while the dihedral angle between the disordered thio-phenyl components is 3.1 (1)°. The mean plane of the tricyclic ring system makes dihedral angles of 35.8 (1), 30.8 (1) and 32.8 (1)°, respectively, with the 4-methyl-phenyl ring and the major and minor components of the thio-phenyl ring. In the crystal, inversion dimers are formed through pairs of C-H⋯π inter-actions. In addition, C-H⋯O inter-actions are observed.Entities:
Year: 2013 PMID: 23634047 PMCID: PMC3629529 DOI: 10.1107/S1600536813005308
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368