Publication Details (including relevant citation information):
An extensive search of the structural landscape of orcinol, 5-methyl-1,3-dihydroxybenzene, has been carried out with high throughput techniques. Polymorphs, pseudopolymorphs (solvates) and co-crystals are described. Several packing modes driven by O–H•••N hydrogen bonds were identified for the orcinol–N-base co-crystals and their hydrates. In these several structural variations, the OH group conformations in the orcinol molecule were found to depend on the choice of co-formers and the crystallization conditions employed. The structural landscape of a molecule is properly described by a sufficiently large number of related crystal structures and high throughput crystallization followed by rapid structure determinations enables one to access these structures efficiently. Effectively the characterization of this landscape would enable the crystal engineer to reasonably anticipate possible crystal structures for any benzene-1,3-diol and its co-crystals with N-bases.
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