J. Fábry
Sep 19, 2017
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Influential Citations
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Journal
Acta Crystallographica Section E: Crystallographic Communications
Abstract
The title structure, 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42, has been redetermined from the data published by Kumar et al. (2015). Acta Cryst. E71, o125-o126. The motivation for this redetermination follows from negligence of important features of the difference electron-density maps as well as from wrongly applied constraints, which significantly affect the structural model. The corrections affect mainly the positions of the H atoms involved in the hydrogen bonds (centered on the primary amine group for which the H atom turned out to be disordered over two positions about the centre of an N⋯H⋯O hydrogen bond) and the methyl group, which is disordered and has now been remodelled.