Abstract
The crystal of meta-dinitrobenzene, C
6
H
4
(N O
2
)
2
, is orthorhombic pyramidal. The dimensions of the unit cell, which contains 4 molecules, are
a
= 13.3A,
b
= 14.1 A,
c
= 3.80A and the space group is
Pbn
. The method of double Fourier series has been applied, and a projection of the electron density on the
ab
plane has been made. The plane of the benzene ring of the molecule is inclined at an angle of 20° to the
b
-axis, and is parallel to the
a
-axis. Within the limits of experiment, the benzene ring is a regular hexagon of side 1.41 A. The C—N links do not lie in the plane of the ring, but make an angle of 15° with it. The C-N distance is 1.54 A, the N -O distances have been assumed the same, 1.20 A, and the O-O distance is 2.17 A. The closest approach of O to CH in adjacent molecules is about 3.0 A, that between O and O about 3.2 A, and that between CH and CH is 3.8 A. A discussion of the packing of the molecules in the structure is given.
Cited by
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