Crystal structures of p-substituted derivatives of 2,6-dimethylbromobenzene with ½ ≤ Z′ ≤ 4

• Main Authors: Angélica Navarrete Guitérrez, Gerardo Aguirre Hernández, Sylvain Bernès
• Format: Article
• Language: English
• Published: International Union of Crystallography 2016-12-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; bromoarenes; Z′; hydrogen bond; molecular symmetry
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989016017485
• ISSN: 2056-9890

The crystal structures of four bromoarenes based on 2,6-dimethylbromobenzene are reported, which are differentiated according the functional group X placed para to the Br atom: X = CN (4-bromo-3,5-dimethylbenzonitrile, C9H8BrN), (1), X = NO2 (2-bromo-1,3-dimethyl-5-nitrobenzene, C8H8BrNO2), (2), X = NH2 (4-bromo-3,5-dimethylaniline, C8H10BrN), (3) and X = OH (4-bromo-3,5-dimethylphenol, 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 molecular 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 interactions, such as π–π, C—H...π or C—Br...Br contacts.