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2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride
In the title compound, C(10)H(14)N(3) (+)·Cl(−), the tetrahydropyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653 (5):0.347 (5). The amidinium fragment of the major conformer is twisted relati...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344492/ https://www.ncbi.nlm.nih.gov/pubmed/22590254 http://dx.doi.org/10.1107/S1600536812014493 |
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author | Molčanov, Krešimir Stolić, Ivana Kojić-Prodić, Biserka Kovačević, Goran Bajić, Miroslav |
author_facet | Molčanov, Krešimir Stolić, Ivana Kojić-Prodić, Biserka Kovačević, Goran Bajić, Miroslav |
author_sort | Molčanov, Krešimir |
collection | PubMed |
description | In the title compound, C(10)H(14)N(3) (+)·Cl(−), the tetrahydropyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653 (5):0.347 (5). The amidinium fragment of the major conformer is twisted relative to the benzene ring by 22.5 (6)° and the two C—N bond lengths of this fragment are similar [1.3228 (16) and 1.319 (2) Å]. In the crystal, the chloride anions are involved in three N—H⋯Cl hydrogen bonds, which link the components into a two-dimensional hydrogen-bonded network parallel to (010). |
format | Online Article Text |
id | pubmed-3344492 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33444922012-05-15 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride Molčanov, Krešimir Stolić, Ivana Kojić-Prodić, Biserka Kovačević, Goran Bajić, Miroslav Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(14)N(3) (+)·Cl(−), the tetrahydropyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653 (5):0.347 (5). The amidinium fragment of the major conformer is twisted relative to the benzene ring by 22.5 (6)° and the two C—N bond lengths of this fragment are similar [1.3228 (16) and 1.319 (2) Å]. In the crystal, the chloride anions are involved in three N—H⋯Cl hydrogen bonds, which link the components into a two-dimensional hydrogen-bonded network parallel to (010). International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344492/ /pubmed/22590254 http://dx.doi.org/10.1107/S1600536812014493 Text en © Molčanov et al. 2012 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 | Organic Papers Molčanov, Krešimir Stolić, Ivana Kojić-Prodić, Biserka Kovačević, Goran Bajić, Miroslav 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title | 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title_full | 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title_fullStr | 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title_full_unstemmed | 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title_short | 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
title_sort | 2-(4-aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344492/ https://www.ncbi.nlm.nih.gov/pubmed/22590254 http://dx.doi.org/10.1107/S1600536812014493 |
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