Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution

To understand the consequences of halogen substitutions on the crystalline packing behavior of benzils, benzil itself and its derivatives with fluorine, chlorine, bromine, and iodine substituents in the p-position of the phenyl rings were studied and compared with respect to their crystal structures...

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Bibliographic Details
Published in:Crystal growth & design 2011-04, Vol.11 (4), p.982-989
Main Authors: Felsmann, Marika, Eissmann, Frank, Schwarzer, Anke, Weber, Edwin
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary:To understand the consequences of halogen substitutions on the crystalline packing behavior of benzils, benzil itself and its derivatives with fluorine, chlorine, bromine, and iodine substituents in the p-position of the phenyl rings were studied and compared with respect to their crystal structures, which are new for the chloro, bromo, and iodo derivatives. While the molecular structures in the crystal are relatively unaffected by the substitution, this is not the case for their packing. In particular, in the chloro, and seemingly in some weaker tendency also in the bromo and iodo derivatives, a leading influence of the halogen atoms to cause specific halogen···halogen contact modes is shown, whereas the influence of the fluorine atom is minor.
ISSN:1528-7483
1528-7505
DOI:10.1021/cg101495f