Disorder in pentachloronitrobenzene, C6Cl5NO2: a diffuse scattering study

Thomas, L.H.; Welberry, T.R.; Goossens, D.J.; Heerdegen, A.P.; Gutmann, M.J.; Teat, S.J.; Lee, P.L.; Wilson, C.C.; Cole, J.M.

doi:10.1107/S0108768107024305

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
The disordered structure of PCNB showing the three different molecular layers A, B and C, which are stacked in an ABCABC⋯c.c.p.-type sequence. (a) A small region of structure with each molecular site randomly occupied by one of six different possible molecular orientations. The orientation of a given molecule is defined by a vector (shown in blue) directed from the molecular centre towards the NO₂ group. (b) The two angles, $[\phi_{1}]$ and $[\phi_{2}]$ , which define the mutual orientation of neighbouring pairs of molecules, are defined.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 63| Part 4| August 2007| Pages 663-673

https://doi.org/10.1107/S0108768107024305

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