A metastable polymorphic form of the anti-fungal anilino-pyrimidine active pyrimethanil.

Acta Crystallogr E Crystallogr Commun

Wolfson Centre for Materials Processing, Brunel University London, Kingston Lane, Uxbridge UB8 3PH, England.

Published: June 2017

A second metastable form of the title compound, CHN (systematic name: 4,6-dimethyl--phenyl-pyrimidin-2-amine), was isolated from an attempted co-crystallization experiment with -erythriol in dimethyl sulfoxide (DMSO). The crystals of form 2 at 120 K are monoclinic, space group 2/ with ' = 4 compared to the previously reported triclinic form with ' = 2 [Sun (2011 ▸). , 1909-1914]. The four independent mol-ecules in the asymmetric unit form two discrete dimeric units through a concerted pair of N-H⋯N hydrogen bonds with a graph-set notation of (8). The origin of the polymorphic behaviour is revealed in that the conformation of each dimer present in the asymmetric unit of the structure is unique and determined by the rotation of the second mol-ecule in the dimer with respect to the first.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458316PMC
http://dx.doi.org/10.1107/S2056989017007563DOI Listing

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