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Disordered structure of propane-1,2-diaminium dichloride
In the title compound, C(3)H(12)N(2) (2+)·2Cl(−), the cations are disordered over two well resolved positions in a 0.525 (13):0.475 (13) ratio. The disorder involves two C atoms which assume positions that make an almost mirror-symmetrical system. Similar disorder is observed both at room temperatu...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051629/ https://www.ncbi.nlm.nih.gov/pubmed/21523049 http://dx.doi.org/10.1107/S1600536811001036 |
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author | Pospieszna-Markiewicz, Izabela Zielaskiewicz, Ewa Radecka-Paryzek, Wanda Kubicki, Maciej |
author_facet | Pospieszna-Markiewicz, Izabela Zielaskiewicz, Ewa Radecka-Paryzek, Wanda Kubicki, Maciej |
author_sort | Pospieszna-Markiewicz, Izabela |
collection | PubMed |
description | In the title compound, C(3)H(12)N(2) (2+)·2Cl(−), the cations are disordered over two well resolved positions in a 0.525 (13):0.475 (13) ratio. The disorder involves two C atoms which assume positions that make an almost mirror-symmetrical system. Similar disorder is observed both at room temperature and at 120 (1) K. The conformation of the NCCN chain in both components is close to trans (the torsion angles ca ±170°), while that of CCCN chain is close to gauche (±50°). In the crystal, a network of relatively strong N—H⋯Cl hydrogen bonds connects the cations and anions into one-cation-deep layers parallel to (001); there are R (2) (4)(8) and R (2) (4)(11) ring motifs within the plane. The planes are only loosely connected by van der Waals contacts and electrostatic interactions between cations and anions. |
format | Text |
id | pubmed-3051629 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30516292011-04-26 Disordered structure of propane-1,2-diaminium dichloride Pospieszna-Markiewicz, Izabela Zielaskiewicz, Ewa Radecka-Paryzek, Wanda Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(3)H(12)N(2) (2+)·2Cl(−), the cations are disordered over two well resolved positions in a 0.525 (13):0.475 (13) ratio. The disorder involves two C atoms which assume positions that make an almost mirror-symmetrical system. Similar disorder is observed both at room temperature and at 120 (1) K. The conformation of the NCCN chain in both components is close to trans (the torsion angles ca ±170°), while that of CCCN chain is close to gauche (±50°). In the crystal, a network of relatively strong N—H⋯Cl hydrogen bonds connects the cations and anions into one-cation-deep layers parallel to (001); there are R (2) (4)(8) and R (2) (4)(11) ring motifs within the plane. The planes are only loosely connected by van der Waals contacts and electrostatic interactions between cations and anions. International Union of Crystallography 2011-01-12 /pmc/articles/PMC3051629/ /pubmed/21523049 http://dx.doi.org/10.1107/S1600536811001036 Text en © Pospieszna-Markiewicz et al. 2011 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 Pospieszna-Markiewicz, Izabela Zielaskiewicz, Ewa Radecka-Paryzek, Wanda Kubicki, Maciej Disordered structure of propane-1,2-diaminium dichloride |
title | Disordered structure of propane-1,2-diaminium dichloride |
title_full | Disordered structure of propane-1,2-diaminium dichloride |
title_fullStr | Disordered structure of propane-1,2-diaminium dichloride |
title_full_unstemmed | Disordered structure of propane-1,2-diaminium dichloride |
title_short | Disordered structure of propane-1,2-diaminium dichloride |
title_sort | disordered structure of propane-1,2-diaminium dichloride |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051629/ https://www.ncbi.nlm.nih.gov/pubmed/21523049 http://dx.doi.org/10.1107/S1600536811001036 |
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