The Crystal Structure of Meta-Dinitrobenzene

E. M. Archer
1946 Proceedings of the Royal Society A  
The crystal of m eta-dinitrobenzene, C6H 4(N 0 2)2> is orthorhom bic pyram idal. The dimensions of th e u n it cell, which contains 4 molecules, are a = 13-3A, 6 = 14*1 A, c = 3-80A and th e space group is Pbn. The m ethod of double F ourier series has been applied, and a projection of th e electron density on th e ab plane has been m ade. The plane of th e benzene ring of th e molecule is inclined a t an angle of 20° to th e 6-axis, and is parallel to th e a-axis. W ithin th e lim its of
more » ... e lim its of experim ent, th e benzene ring is a regular hexagon of side 1-41 A. The C-N links do n o t lie in th e plane of th e ring, b u t m ake an angle of 15° w ith it. The C-N distance is 1*54A, th e N -0 distances have been assum ed th e same, 1*20A, and the 0 -0 distance is 2* 17 A. The closest approach of O to CH in adjacent molecules is ab o u t 3*0A, th a t betw een O and O about 3-2 A, and th a t betw een CH and CH is 3*8 A. A discussion of th e packing of th e molecules in the structu re is given.
doi:10.1098/rspa.1946.0096 fatcat:z65rsiq3hngpfmyf43fiabgume