Anomalous halogen bonds in the crystal structures of 1,2,3-tri-bromo-5-nitro-benzene and 1,3-di-bromo-2-iodo-5-nitro-benzene.
Acta Crystallogr E Crystallogr Commun
; 71(Pt 8): 960-4, 2015 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-26396766
The title trihalogenated nitro-benzene derivatives, C6H2Br3NO2 and C6H2Br2INO2, crystallize in triclinic and monoclinic cells, respectively, with two mol-ecules per asymmetric unit in each case. The asymmetric unit of the tri-bromo compound features a polarized Br(δ+)â¯Br(δ-) inter-molecular halogen bond. After substitution of the Br atom in the para position with respect to the nitro group, the network of Xâ¯X halogen contacts is reorganized. Two inter-molecular polarized halogen bonds are then observed, which present the uncommon polarization Br(δ+)â¯I(δ-): the more electronegative site (Br) behaves as a donor and the less electronegative site (I) as an acceptor for the charge transfer.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
México
País de publicação:
Reino Unido