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Crystal structure of 4,6-diamino-2,2-dimethyl-3-[3-(2,4,5-trichlorophenoxy)-propoxy]-2,3-dihydro-1,3,5-triazin-1-ium chloride methanol monosolvate

  • Mahidol University

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

In the title methanol-solvated salt, C14H19Cl3N5O2+·Cl-·-CH3OH, the triazine molecule is protonated at one of the triazine N atoms. In the crystal, the triazine cations are linked through a pair of N-H··· N hydrogen bonds, with graph-set R22(8), forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation interact with the chloride anion through N-H···Cl hydrogen bonds, leading to the formation of a tape structure running along the b-axis direction. A short Cl···Cl contact [3.2937 (9) Å] is observed in the tape. The methanol molecule is linked to the chloride anion and the triazine cation, respectively, by an O-H···Cl hydrogen bond and a C-H···O interaction.

Original languageEnglish
Pages (from-to)o608-o609
JournalActa Crystallographica Section E: Crystallographic Communications
Volume71
DOIs
Publication statusPublished - 2015
Externally publishedYes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

  1. SDG 3 - Good Health and Well-being
    SDG 3 Good Health and Well-being

Keywords

  • Antifolate drug
  • Antimalarial
  • Crystal structure
  • Hydrogen bonding
  • Triazine

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