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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...

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Autores principales: Pospieszna-Markiewicz, Izabela, Zielaskiewicz, Ewa, Radecka-Paryzek, Wanda, Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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