Molecular structure of 9,10-bis[bis(4-tert-butylphenyl)methylene)-9,10-dihydroanthracene: A butterfly-shaped Thiele's hydrocarbon derivative

Add time:07/11/2019    Source:sciencedirect.com

The molecular structure of 9,10-bis[bis(4-tert-butylphenyl)methylene)-9,10-dihydroanthracene, an anthraquinodimethane derivative having four aryl groups on exocyclic methylene positions, was experimentally and theoretically characterized. Single-crystal diffraction study revealed that the title molecule takes a butterfly shape, i.e., two exocyclic carbons rise from the molecular plane, defined by four carbons of central quinoidal ring, by 1.257(3) Å (average). The dihedral angle of the butterfly wing, i.e., the angle between the two annulated benzenes is 137.71(5)°. Characteristic bond alternation was observed for the central quinoidal moiety and the exocyclic double bond. Theoretical study indicated that this butterfly shape is the stable structure. The two optimized structures nearly reproduced the experimentally observed molecular structures, bond distances, and angles.

We also recommend Trading Suppliers and Manufacturers of 1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,2-trimethylpropyl]benzene (cas 342045-09-4). Pls Click Website Link as below: cas 342045-09-4 suppliers

Prev:Pd-catalyzed coupling of arylamines and 2-bromo-3,3,3-trifluoropropene
Next:Synthesis of unsymmetrical N-(2-tert-butylphenyl)-N-(4-tert-butylphenyl)nitroxyl radical, the first stable diarylnitroxyl with vacant para-position)