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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...

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Autores principales: Molčanov, Krešimir, Stolić, Ivana, Kojić-Prodić, Biserka, Kovačević, Goran, Bajić, Miroslav
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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).
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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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