Journal Article10.1021/CG025517W
Triangular halogen-halogen-halogen interactions as a cohesive force in the structures of trihalomesitylenes
Eric Bosch,Charles L. Barnes +1 more
162
TL;DR: In this paper, the structures and molecular packing of tribromo- and triiodomesitylene are compared and compared to that of trichloromesity leyes, where attractive triangular X3 interactions dominate the molecular packing in all three structures.
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Abstract: The structures and molecular packing of tribromo- and triiodomesitylene are reported and compared to that of trichloromesitylene. Attractive triangular X3 interactions dominate the molecular packing in all three structures. The nonspherical atomic charge distribution on the halogens results in the formation donor−acceptor interactions in which each halogen atom is simultaneously a donor and an acceptor. These triangular X3 (X = Br or I) interactions result in the formation of 2-dimensional sheetlike structures.
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Citations
σ-Hole Bond vs π-Hole Bond: A Comparison Based on Halogen Bond.
TL;DR: The σ-hole and π-hole are the regions with positive surface electrostatic potential on the molecule entity; the former specifically refers to the positive region of a molecular entity along extension of the Y-Ge/P/Se/X covalent ρ-bond.
535
Orthogonal multipolar interactions in structural chemistry and biology.
TL;DR: Using results from database mining, this review attempts to give an overview of types and structural features of these previously rather overlooked interactions of multipolar interactions in organizing a crystal lattice or stabilizing complexes involving biological receptors.
482
Isostructurality, Polymorphism and Mechanical Properties of Some Hexahalogenated Benzenes: The Nature of Halogen⋅⋅⋅Halogen Interactions
C. Malla Reddy,Michael T. Kirchner,Ravi C. Gundakaram,K. Anantha Padmanabhan,Gautam R. Desiraju +4 more
TL;DR: Both chemical and geometrical models need to be considered for X...X interactions in hexahalogenated benzenes, where nonspecificity of the weak interlayer interactions here is demonstrated by the structure of twinned crystals of these compounds.
393
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