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Crystal structure of 4,6-di-amino-2,2-dimethyl-3-[3-(2,4,5-tri-chloro-phen-oxy)prop-oxy]-2,3-di-hydro-1,3,5-triazin-1-ium chloride methanol monosolvate.

ABSTRACT: In the title methanol-solvated salt, C14H19Cl3N5O2 (+)·Cl(-)·CH3OH, the triazine mol-ecule 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 R 2 (2)(8), forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation inter-act 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 mol-ecule is linked to the chloride anion and the triazine cation, respectively, by an O-H?Cl hydrogen bond and a C-H?O inter-action.

SUBMITTER: Khongsuk P

PROVIDER: S-EPMC4571422 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 4,6-di-amino-2,2-dimethyl-3-[3-(2,4,5-tri-chloro-phen-oxy)prop-oxy]-2,3-di-hydro-1,3,5-triazin-1-ium chloride methanol monosolvate.

Khongsuk Pattarapol P Prabpai Samran S Kongsaeree Palangpon P

Acta crystallographica. Section E, Crystallographic communications 20150729 Pt 8

In the title methanol-solvated salt, C14H19Cl3N5O2 (+)·Cl(-)·CH3OH, the triazine mol-ecule 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 R 2 (2)(8), forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation inter-act with the chloride anion through N-H⋯Cl hydrogen bonds, leading to the formation of a tape structure running along the b-axis direction. ...[more]

PMID: 26396822

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