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Crystal structures of p-substituted derivatives of 2,6-di-methyl-bromo-benzene with ½ ? Z' ? 4.

ABSTRACT: The crystal structures of four bromo-arenes based on 2,6-di-methyl-bromo-benzene are reported, which are differentiated according the functional group X placed para to the Br atom: X = CN (4-bromo-3,5-di-methyl-benzo-nitrile, C₉H₈BrN), (1), X = NO₂ (2-bromo-1,3-dimethyl-5-nitro-benzene, C₈H₈BrNO₂), (2), X = NH₂ (4-bromo-3,5-di-methyl-aniline, C₈H₁₀BrN), (3) and X = OH (4-bromo-3,5-di-methyl-phenol, C₈H₉BrO), (4). The content of the asymmetric unit is different in each crystal, Z' = ½ (X = CN), Z' = 1 (X = NO₂), Z' = 2 (X = NH₂), and Z' = 4 (X = OH), and is related to the mol-ecular symmetry and the propensity of X to be involved in hydrogen bonding. In none of the studied compounds does the crystal structure feature other non-covalent inter-actions, such as ?-?, C-H?? or C-Br?Br contacts.

SUBMITTER: Navarrete Guiterrez A

PROVIDER: S-EPMC5137603 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structures of p-substituted derivatives of 2,6-di-methyl-bromo-benzene with ½ ≤ Z' ≤ 4.

Navarrete Guitérrez Angélica A Aguirre Hernández Gerardo G Bernès Sylvain S

Acta crystallographica. Section E, Crystallographic communications 20161108 Pt 12

The crystal structures of four bromo-arenes based on 2,6-di-methyl-bromo-benzene are reported, which are differentiated according the functional group X placed para to the Br atom: X = CN (4-bromo-3,5-di-methyl-benzo-nitrile, C9H8BrN), (1), X = NO2 (2-bromo-1,3-dimethyl-5-nitro-benzene, C8H8BrNO2), (2), X = NH2 (4-bromo-3,5-di-methyl-aniline, C8H10Br ...[more]

PMID: 27980825

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