Packing Modes in Nitrobenzene Derivatives. I. The Single Stacks

Abstract

The crystal packing modes of nitrobenzene derivatives, compounds classified as BCLASS = 15 by the Cambridge Structural Database (CSD), have been analysed. Several packing modes have been observed, although two of them, the so-called stacks and pseudo-herringbone, appear as the most populated ones. In 28.4% of the 169 structures that fulfilled the conditions of the search, the molecules are packed to form columns, with the aromatic planes almost parallel. Different ways of stacking within the columns and the way in which these columns pack together to give the whole crystal have been analysed.