An interesting case of 'halogen-bonding-promoted' crystal structure architecture is presented. The two title compounds, C8H8Br2O2 and C8H8I2O2, have almost indistinguishable mol-ecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding inter-actions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a π-bonded columnar array involving all four independent mol-ecules in the asymmetric unit, with inter-columnar inter-actions governed by C - Br⋯Br - C links and with no C - Br⋯O/N inter-actions present. In the diiodo structure, instead, the C - I⋯O synthon prevails, defining linear chains, in turn inter-linked by C - I⋯I - C inter-actions. © 2008 International Union of Crystallography.
Documento: | Artículo |
Título: | Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene |
Autor: | Cukiernik, F.D.; Zelcer, A.; Garland, M.T.; Baggio, R. |
Filiación: | Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, UBA, Buenos Aires, Argentina Instituto de Ciencias, Universidad Nacional de General Sarmiento, Buenos Aires, Argentina Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Santiago de Chile, Chile Departamento de Física, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina Gerencia Qúmica, Centro Atómico Constituyentes, Comisión Nacional de Enerǵa Atómica, Buenos Aires, Argentina |
Palabras clave: | Benzene; Bromine compounds; Halogen compounds; Asymmetric units; C links; Columnar arrays; Halogen bondings; Linear chains; Spatial organizations; Synthon; Title compounds; Crystal structure |
Año: | 2008 |
Volumen: | 64 |
Número: | 11 |
Página de inicio: | o604 |
Página de fin: | o608 |
DOI: | http://dx.doi.org/10.1107/S010827010803309X |
Título revista: | Acta Crystallographica Section C: Crystal Structure Communications |
Título revista abreviado: | Acta Crystallogr Sect C Cryst Struct Commun |
ISSN: | 01082701 |
CODEN: | ACSCE |
PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_01082701_v64_n11_po604_Cukiernik.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v64_n11_po604_Cukiernik |