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Balasubramani, Kasthuri, Muthiah, Packianathan Thomas, Bocelli, Gabriele, Cantoni, Andrea (2007) Pyrimethaminium nicotinate monohydrate. Acta Crystallographica Section E Structure Reports Online, 63 (11) doi:10.1107/s1600536807052397

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Reference TypeJournal (article/letter/editorial)
TitlePyrimethaminium nicotinate monohydrate
JournalActa Crystallographica Section E Structure Reports Online
AuthorsBalasubramani, KasthuriAuthor
Muthiah, Packianathan ThomasAuthor
Bocelli, GabrieleAuthor
Cantoni, AndreaAuthor
Year2007 (November 1)Volume63
Issue11
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s1600536807052397Search in ResearchGate
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Mindat Ref. ID467770Long-form Identifiermindat:1:5:467770:7
GUID0
Full ReferenceBalasubramani, Kasthuri, Muthiah, Packianathan Thomas, Bocelli, Gabriele, Cantoni, Andrea (2007) Pyrimethaminium nicotinate monohydrate. Acta Crystallographica Section E Structure Reports Online, 63 (11) doi:10.1107/s1600536807052397
Plain TextBalasubramani, Kasthuri, Muthiah, Packianathan Thomas, Bocelli, Gabriele, Cantoni, Andrea (2007) Pyrimethaminium nicotinate monohydrate. Acta Crystallographica Section E Structure Reports Online, 63 (11) doi:10.1107/s1600536807052397
In(2007, November) Acta Crystallographica Section E Structure Reports Online Vol. 63 (11) International Union of Crystallography (IUCr)
Abstract/NotesIn the title compound, C12H14ClN4
+·C6H4NO2
−·H2O, the pyrimethamine molecule is protonated at one of the pyrimidine N atoms. The protonated N atom and 2-amino group of the cation interact with an adjacent nicotinate anion through a pair of N—H...O hydrogen bonds [graph set R
2
2(8)]. The cation, anion and water molecule form a hydrogen-bonded ring motif with graph-set notation R
4
2(8). The crystal structure is further stabilized by N—H...O and O—H...O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.637 (6) Å].


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