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Crystal structure of allylammonium hydrogen succinate at 100 K
The asymmetric unit of the title compound, C(2)H(8)N(+)·C(4)H(5)O(4) (−), consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfect syn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is character...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186065/ https://www.ncbi.nlm.nih.gov/pubmed/25309251 http://dx.doi.org/10.1107/S1600536814015633 |
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author | Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof |
author_facet | Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof |
author_sort | Dziuk, Błażej |
collection | PubMed |
description | The asymmetric unit of the title compound, C(2)H(8)N(+)·C(4)H(5)O(4) (−), consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfect syn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by a gauche conformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH(2)–CH(2)–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H⋯O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O⋯O midpoint. These O—H⋯O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H⋯O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100). |
format | Online Article Text |
id | pubmed-4186065 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41860652014-10-12 Crystal structure of allylammonium hydrogen succinate at 100 K Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title compound, C(2)H(8)N(+)·C(4)H(5)O(4) (−), consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfect syn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by a gauche conformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH(2)–CH(2)–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H⋯O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O⋯O midpoint. These O—H⋯O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H⋯O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100). International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186065/ /pubmed/25309251 http://dx.doi.org/10.1107/S1600536814015633 Text en © Dziuk et al. 2014 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 Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof Crystal structure of allylammonium hydrogen succinate at 100 K |
title | Crystal structure of allylammonium hydrogen succinate at 100 K |
title_full | Crystal structure of allylammonium hydrogen succinate at 100 K |
title_fullStr | Crystal structure of allylammonium hydrogen succinate at 100 K |
title_full_unstemmed | Crystal structure of allylammonium hydrogen succinate at 100 K |
title_short | Crystal structure of allylammonium hydrogen succinate at 100 K |
title_sort | crystal structure of allylammonium hydrogen succinate at 100 k |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186065/ https://www.ncbi.nlm.nih.gov/pubmed/25309251 http://dx.doi.org/10.1107/S1600536814015633 |
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