Article ID Journal Published Year Pages File Type
1411132 Journal of Molecular Structure 2010 12 Pages PDF
Abstract

Intermolecular interactions leading to particular molecular packing have been studied in the crystals of 30 single-substituted nitrobenzenes. The experimental and predicted crystal structures of ortho, meta and para isomers of nitrophenol, nitroaniline, nitrobenzoic acid, halogenonitrobenzenes, dinitrobenzene, nitrobenzaldehyde, cyano- and isocyanobenzene have been analyzed. The stacking and herringbone modes of molecular packing and the resulting interactions in the crystals exhibiting, or not exhibiting intermolecular hydrogen bondings, are discussed. The relevance of the intermolecular interactions between nitro groups is stressed.

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Physical Sciences and Engineering Chemistry Organic Chemistry
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