Balakrishnan B, Nandakumar Meganathan, Seshadri Pandamangalam R, Mohanakrishnan Arasambattu K
Department of Physics, P.T. Lee Chengalvaraya Naicker College of Engineering and Technology, Kancheepuram 631 502, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 6;69(Pt 4):o500. doi: 10.1107/S1600536813005291. Print 2013 Apr 1.
The title compound, C30H30O5, is the Diels-Alder adduct from 1,3-diphenyl-benzo[c]furan and diethyl maleate. The mol-ecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between the 4-methyl-phenyl substituents in the 1- and 8-positions is 62.1 (1)°. The ethyl group of one ester group and the eth-oxy group of the other ester group are disordered over two sets of sites, with occupancy ratios of 0.43 (2):0.57 (2) and 0.804 (7):0.196 (7), respectively. In the crystal, inversion dimers are formed through pairs of C-H⋯O inter-actions.
标题化合物C30H30O5是1,3-二苯基苯并[c]呋喃与马来酸二乙酯的狄尔斯-阿尔德加合物。该分子包含一个稠合的三环体系，其中有两个五元环，它们呈信封式构象，O原子位于折边上，还有一个六元环呈船式构象。1位和8位上4-甲基苯基取代基之间的二面角为62.1 (1)°。一个酯基的乙基和另一个酯基的乙氧基在两组位置上无序分布，占有率分别为0.43 (2):0.57 (2)和0.804 (7):0.196 (7)。在晶体中，通过C—H⋯O相互作用形成反演二聚体。
