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1,3,5-Tris(bromo-meth-yl)-2,4,6-trimeth-oxy-benzene.

ABSTRACT: There are three independent mol-ecules in the asymmetric unit of the title compound, C12H15Br3O3, two of which have approximate trigonal symmetry, the third being conformationally different as it adopts near mirror symmetry. The crystal structure features C-H?Br inter-actions, a weak C-H?O hydrogen bond, ?-? inter-actions [minimum ring centroid separation = 3.4927?(18)?Å] and a short Br?Br contact [3.5894?(5)?Å], resulting in a three-dimensional supramolecular network.

SUBMITTER: Koch N

PROVIDER: S-EPMC3647873 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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1,3,5-Tris(bromo-meth-yl)-2,4,6-trimeth-oxy-benzene.

Koch Niklas N Seichter Wilhelm W Mazik Monika M

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

There are three independent mol-ecules in the asymmetric unit of the title compound, C12H15Br3O3, two of which have approximate trigonal symmetry, the third being conformationally different as it adopts near mirror symmetry. The crystal structure features C-H⋯Br inter-actions, a weak C-H⋯O hydrogen bond, π-π inter-actions [minimum ring centroid separation = 3.4927 (18) Å] and a short Br⋯Br contact [3.5894 (5) Å], resulting in a three-dimensional supramolecular network. ...[more]

PMID: 23723839

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