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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
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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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 |
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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 |
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