Cargando…

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

In the title methanol-solvated salt, C(14)H(19)Cl(3)N(5)O(2) (+)·Cl(−)·CH(3)OH, 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 R (2) (2)(8), forming an inversion dimer. The pr...

Descripción completa

Detalles Bibliográficos
Autores principales: Khongsuk, Pattarapol, Prabpai, Samran, Kongsaeree, Palangpon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571422/
https://www.ncbi.nlm.nih.gov/pubmed/26396822
http://dx.doi.org/10.1107/S205698901501378X
_version_ 1782390338345762816
author Khongsuk, Pattarapol
Prabpai, Samran
Kongsaeree, Palangpon
author_facet Khongsuk, Pattarapol
Prabpai, Samran
Kongsaeree, Palangpon
author_sort Khongsuk, Pattarapol
collection PubMed
description In the title methanol-solvated salt, C(14)H(19)Cl(3)N(5)O(2) (+)·Cl(−)·CH(3)OH, 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 R (2) (2)(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.
format Online
Article
Text
id pubmed-4571422
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-45714222015-09-22 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 Khongsuk, Pattarapol Prabpai, Samran Kongsaeree, Palangpon Acta Crystallogr E Crystallogr Commun Data Reports In the title methanol-solvated salt, C(14)H(19)Cl(3)N(5)O(2) (+)·Cl(−)·CH(3)OH, 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 R (2) (2)(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. International Union of Crystallography 2015-07-29 /pmc/articles/PMC4571422/ /pubmed/26396822 http://dx.doi.org/10.1107/S205698901501378X Text en © Khongsuk et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Khongsuk, Pattarapol
Prabpai, Samran
Kongsaeree, Palangpon
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571422/
https://www.ncbi.nlm.nih.gov/pubmed/26396822
http://dx.doi.org/10.1107/S205698901501378X
work_keys_str_mv AT khongsukpattarapol crystalstructureof46diamino22dimethyl33245trichlorophenoxypropoxy23dihydro135triazin1iumchloridemethanolmonosolvate
AT prabpaisamran crystalstructureof46diamino22dimethyl33245trichlorophenoxypropoxy23dihydro135triazin1iumchloridemethanolmonosolvate
AT kongsaereepalangpon crystalstructureof46diamino22dimethyl33245trichlorophenoxypropoxy23dihydro135triazin1iumchloridemethanolmonosolvate