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

Acta Crystallogr E Crystallogr Commun

Instituto de Física, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, Pue., Mexico.

Published: December 2016

The crystal structures of four bromo-arenes based on 2,6-di-methyl-bromo-benzene are reported, which are differentiated according the functional group placed to the Br atom: = CN (4-bromo-3,5-di-methyl-benzo-nitrile, CHBrN), (), = NO (2-bromo-1,3-dimethyl-5-nitro-benzene, CHBrNO), (), = NH (4-bromo-3,5-di-methyl-aniline, CHBrN), () and = OH (4-bromo-3,5-di-methyl-phenol, CHBrO), (). The content of the asymmetric unit is different in each crystal, ' = ½ ( = CN), ' = 1 ( = NO), ' = 2 ( = NH), and ' = 4 ( = OH), and is related to the mol-ecular symmetry and the propensity of to be involved in hydrogen bonding. In none of the studied compounds does the crystal structure feature other non-covalent inter-actions, such as π-π, C-H⋯π or C-Br⋯Br contacts.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137603PMC
http://dx.doi.org/10.1107/S2056989016017485DOI Listing

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