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4-Bromo-1-nitro-benzene.

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.

SUBMITTER: Ali Q 

PROVIDER: S-EPMC3052147 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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4-Bromo-1-nitro-benzene.

Ali Qamar Q   Raza Shah M M   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20110202 Pt 3

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. ...[more]

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