D. Bright, I. E. Maxwell, J. D. Boer
1973
Citations
0
Influential Citations
14
Citations
Journal
Journal of The Chemical Society-perkin Transactions 1
Abstract
The crystal structure of 1,8-dimethylnaphthalene has been solved by a reciprocal space-search method. Least-squares refinement of 914 independent X-ray reflections measured on a diffractometer leads to R 0·080. The molecular distortions caused by steric interaction of the methyl groups have been analysed by means of strain-energy minimization calculations, which show that the repulsive energy between the methyl groups is reduced mainly by bond-angle distortion at the junction between the methyl groups and the naphthalene nucleus. Crystals are monoclinic, space group P21/c, Z= 4, a= 9·835(3), b= 7·012(3), c= 16·115(5)A, β= 124·35(3)°.