Title of article :
Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2H-6,11-epoxycyclopenta[a]anthracene-2,2-dicarboxylate
Author/Authors :
Meng, Xiang-Zhen School of Chemistry and Materials Engineering - Chaohu College - Chaohu Anhui, People's Republic of China , Cheng, Dong School of Chemistry and Materials Engineering - Chaohu College - Chaohu Anhui, People's Republic of China
Abstract :
In the central fused ring system of the title compound, C51H42O5, all of the five-membered rings are in an envelope conformation. The dihedral angle between the two benzene rings in the fused ring system is 74.66 (7)°. In the crystal, molecules are linked by C—H⋯π interactions, forming a layer parallel to the ab plane. Each molecule acts as a double donor as well as a double acceptor of the C—H⋯π interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (61.4%) and C⋯H/H⋯C (25.3%) contacts.
Keywords :
crystal structure , C—H⋯π interactions , Hirshfeld surface analysis , Hirshfeld surface analysis , hexadehydro-Diels–Alder reaction
Journal title :
Acta Crystallographica Section E: Crystallographic Communications