A structural study of 2,4-di-methyl-aniline derivatives.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, The University of Winnipeg, Winnipeg MB R3B 2E9, Canada.

Published: September 2018

Crystallographic studies of nitro-gen-containing small mol-ecules aid in the elucidation of their structure-activity relationships and modes of aggregation. In this study, two previously synthesized mol-ecules are crystallographically characterized for the first time. Reaction of 2,4-di-methyl-aniline with -bromo-succinimide affords the -brominated derivative 2-bromo-4,6-di-methyl-aniline (; CHBrN), which sublimates to afford crystals featuring hydrogen-bonded chains as well as Type I halogen-halogen inter-actions. Conversely, alkyl-ation of two equivalents of 2,4-di-methyl-aniline with 1,2-di-bromo-ethane affords a separable mixture of ,'-bis-(2,4-di-methyl-phen-yl)piperazine (; CHN), which was crystallographically characterized, as well as ,'-bis-(2,4-di-methyl-phen-yl)ethyl-enedi-amine ().

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127724PMC
http://dx.doi.org/10.1107/S2056989018011404DOI Listing

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