Unknown

Dataset Information

0

Crystal structure of dimethyl 5-(4-ethyl-phen-yl)-4-[(4-ethyl-phen-yl)ethyn-yl]-6,11-diphenyl-1,3,6,11-tetra-hydro-2H-6,11-ep-oxy-cyclo-penta-[a]anthracene-2,2-di-carboxyl-ate.


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, mol-ecules are linked by C-H?? inter-actions, forming a layer parallel to the ab plane. Each mol-ecule acts as a double donor as well as a double acceptor of the C-H?? inter-actions. 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.

SUBMITTER: Meng XZ 

PROVIDER: S-EPMC7274007 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

altmetric image

Publications

Crystal structure of dimethyl 5-(4-ethyl-phen-yl)-4-[(4-ethyl-phen-yl)ethyn-yl]-6,11-diphenyl-1,3,6,11-tetra-hydro-2<i>H</i>-6,11-ep-oxy-cyclo-penta-[<i>a</i>]anthracene-2,2-di-carboxyl-ate.

Meng Xiang-Zhen XZ   Cheng Dong D  

Acta crystallographica. Section E, Crystallographic communications 20200529 Pt 6


In the central fused ring system of the title compound, C<sub>51</sub>H<sub>42</sub>O<sub>5</sub>, 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, mol-ecules are linked by C-H⋯π inter-actions, forming a layer parallel to the <i>ab</i> plane. Each mol-ecule acts as a double donor as well as a double acceptor of the C-H⋯π inter-actions. Hirshfeld surface analysis and two-dimensi  ...[more]

Similar Datasets

| S-EPMC3007523 | biostudies-literature
| S-EPMC4420139 | biostudies-literature
| S-EPMC3007577 | biostudies-literature
| S-EPMC4384545 | biostudies-literature
| S-EPMC4350713 | biostudies-literature
| S-EPMC2983524 | biostudies-literature
| S-EPMC2961624 | biostudies-literature
| S-EPMC3051690 | biostudies-literature
| S-EPMC3120504 | biostudies-literature
| S-EPMC3515196 | biostudies-literature