Literature DB >> 16210764

Hydrogen-bonding patterns in pyrimethaminium dinitrate.

Kasthuri Balasubramani1, Packianathan Thomas Muthiah, Urszula Rychlewska, Agnieszka Plutecka.   

Abstract

The title compound, 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine-1,3-diium dinitrate, C12H15ClN42+.2NO3-, contains two crystallographically independent pyrimethamine (PMN) molecules, which differ in the relative orientations of the pyrimidine and benzene rings and of the ethyl substitutents. In both pyrimethamine molecules, all the pyrimidine N atoms are protonated, unlike most related compounds, in which only one pyrimidine N atom is protonated. The two pyrimethamine moieties are bridged by a variety of N-HO(nitrate) interactions, including some three-centre hydrogen bonds.

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Year:  2005        PMID: 16210764     DOI: 10.1107/S0108270105016513

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  2 in total

1.  Dihydrofolate Reductase Inhibitors: The Pharmacophore as a Guide for Co-Crystal Screening.

Authors:  João A Baptista; Mário T S Rosado; Ricardo A E Castro; António O L Évora; Teresa M R Maria; Manuela Ramos Silva; João Canotilho; M Ermelinda S Eusébio
Journal:  Molecules       Date:  2021-11-06       Impact factor: 4.411

2.  Supra-molecular hydrogen-bonding patterns in the N(9)-H protonated and N(7)-H tautomeric form of an N(6) -benzoyl-adenine salt: N (6)-benzoyl-adeninium nitrate.

Authors:  Ammasai Karthikeyan; Nithianantham Jeeva Jasmine; Packianathan Thomas Muthiah; Franc Perdih
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2016-01-09
  2 in total

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