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. 2011 Feb 2;67(Pt 3):o548.
doi: 10.1107/S1600536811003394.

4-Bromo-1-nitro-benzene

Qamar Ali, M Raza Shah, Seik Weng Ng

4-Bromo-1-nitro-benzene

Qamar Ali et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The non-H atoms of the title mol-ecule, C(6)H(4)BrNO(2), are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π-π stacking occurs between parallel benzene rings of adjacent mol-ecules with centroid-centroid distances of 3.643 (3) and 3.741 (3) Å. Weak inter-molecular C-H⋯O hydrogen bonding and short Br⋯O contacts [3.227 (4) 3.401 (4) Å] are also observed in the crystal structure. The crystal studied was a non-morohedral twin with a 26.1 (6)% minor component.

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Figures

Fig. 1.
Fig. 1.
Thermal ellipsoid plot (Barbour, 2001) of C6H4BrNO2 at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
See this image and copyright information in PMC

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