Pyrimethaminium 2-{[4-(tri­fluoro­meth­yl)phen­yl]sulfan­yl}benzoate di­methyl sulfoxide monosolvate

Yamuna, T. S. and Kaur, Manpreet and Jasinski, Jerry P. and Yathirajan, H. S. (2014) Pyrimethaminium 2-{[4-(tri­fluoro­meth­yl)phen­yl]sulfan­yl}benzoate di­methyl sulfoxide monosolvate. Acta Crystallographica Section E, 70 (6). o683-o684. ISSN 2056-9890

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In the cation of the title solvated mol­ecular salt, C12H14ClN4+·C14H8F3O2S−·C2H6OS [systematic name of the cation: 2,4-di­amino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chloro­phenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.5 (5)°. Disorder was modelled for the dimethyl sulfoxide solvent mol­ecule over two set of sites in a 0.7487 (13):0.2513 (13) ratio. In the crystal, the cations are linked by inversion-generated pairs of N—H⋯N hydrogen bonds, with an R22(8) graph-set motif. The cation donates two N—H⋯O hydrogen bonds to the anion, also generating an R22(8) loop. These inter­actions, along with cation–solvent N—H⋯O hydrogen bonds, and cation–anion C—H⋯F, solvent–anion C—H⋯O and C—H⋯F inter­actions, result in a three-dimensional network.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 06 Nov 2019 05:41
Last Modified: 06 Nov 2019 05:41

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