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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...

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Autores principales: Dziuk, Błażej, Zarychta, Bartosz, Ejsmont, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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).
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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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