arijit mukherjee - Polymorphs, Pseudopolymorphs and Co-crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography

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  Publication Details (including relevant citation   information): T%2B%255Batype%253A%2Bad%255D%2BNOT%2B%255Batype%253A%2Bacs-toc%255D&searchHist o ryKey=


  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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