Artículo
Br⋯Br and van der Waals interactions along a homologous series: Crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes
Suarez, Sebastian
; Müller, Federico Guillermo; Gutierrez Suburu, Matias Ezequiel; Fonrouge, Ana; Baggio, Ricardo Fortunato; Cukiernik, Fabio Daniel
![Icon](/themes/CONICETDigital/images/conicet.png)
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Fecha de publicación:
10/2016
Editorial:
International Union of Crystallography
Revista:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN:
2052-5206
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The crystalline structures of four homologues of the 1,2-dibromo-4,5-dialkoxybenzene series [Br2C6H2(OCn H2n+1)2 for n = 2, 12, 14 and 18] have been solved by means of single-crystal crystallography. Comparison along the series, including the previously reported n = 10 and n = 16 derivatives, shows a clear metric trend (b and c essentially fixed along the series and a growing linearly with n), in spite of some subtle differences in space groups and/or packing modes. A uniform packing pattern for the aliphatic chains has been found for the n = 12 to 18 homologues, which slightly differs from that of the n = 10 derivative. The crystalline structures of all the higher homologues (n = 10-18) seem to arise from van der Waals interchain interactions and, to a lesser extent, type II Br⋯Br interactions. The dominant role of interchain interactions provides direct structural support for the usual interpretation of melting point trends like that found along this series. Atoms in Molecules (AIM) analysis allows a comparison of the relative magnitude of the interchain and Br⋯Br interactions, an analysis validated by the measured melting enthalpies.
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Articulos(INQUIMAE)
Articulos de INST.D/QUIM FIS D/L MATERIALES MEDIOAMB Y ENERGIA
Articulos de INST.D/QUIM FIS D/L MATERIALES MEDIOAMB Y ENERGIA
Citación
Suarez, Sebastian; Müller, Federico Guillermo; Gutierrez Suburu, Matias Ezequiel; Fonrouge, Ana; Baggio, Ricardo Fortunato; et al.; Br⋯Br and van der Waals interactions along a homologous series: Crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes; International Union of Crystallography; Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials; 72; 10-2016; 693-701
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