A metastable polymorphic form of the antifungal anilinopyrimidine active pyrimethanil

Acta Crystallographica Section E: Crystallographic Communications

Alex R. Eberlin¹  Christopher S. Frampton² 

[1] Johnson Matthey, Pharmorphix, 250 Cambridge Science Park, Milton Road, Cambridge CB4 0WE, England;Wolfson Centre for Materials Processing, Brunel University London, Kingston Lane, Uxbridge UB8 3PH, England;

关键词: crystal structure;    polymorphism;    pyrimethanil;    hydrogen bonding;   

DOI  :  10.1107/S2056989017007563

来源: DOAJ

【 摘 要 】

A second metastable form of the title compound, C12H13N3 (systematic name: 4,6-dimethyl-N-phenylpyrimidin-2-amine), was isolated from an attempted co-crystallization experiment with meso-erythriol in dimethyl sulfoxide (DMSO). The crystals of form 2 at 120 K are monoclinic, space group P21/n with Z′ = 4 compared to the previously reported triclinic form with Z′ = 2 [Sun et al. (2011). Acta Chim. Sin. 69, 1909–1914]. The four independent molecules 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 R22(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 molecule in the dimer with respect to the first.

【 授权许可】

Unknown