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Crystal structure of bis­(allyl­ammonium) oxalate

The title salt, 2C(3)H(8)N(+)·C(2)O(4) (2−), crystallized with six independent allyl­ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO(2) planes = 1.91 (19)°], while the other two are twisted with a...

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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/PMC4257458/
https://www.ncbi.nlm.nih.gov/pubmed/25553015
http://dx.doi.org/10.1107/S1600536814023617
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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 title salt, 2C(3)H(8)N(+)·C(2)O(4) (2−), crystallized with six independent allyl­ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO(2) planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N—C—C—C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized by gauche arrangements, with the N—C—C—C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allyl­ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N—H⋯O and N—H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.
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spelling pubmed-42574582014-12-31 Crystal structure of bis­(allyl­ammonium) oxalate Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof Acta Crystallogr Sect E Struct Rep Online Data Reports The title salt, 2C(3)H(8)N(+)·C(2)O(4) (2−), crystallized with six independent allyl­ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO(2) planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N—C—C—C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized by gauche arrangements, with the N—C—C—C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allyl­ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N—H⋯O and N—H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers. International Union of Crystallography 2014-11-05 /pmc/articles/PMC4257458/ /pubmed/25553015 http://dx.doi.org/10.1107/S1600536814023617 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 bis­(allyl­ammonium) oxalate
title Crystal structure of bis­(allyl­ammonium) oxalate
title_full Crystal structure of bis­(allyl­ammonium) oxalate
title_fullStr Crystal structure of bis­(allyl­ammonium) oxalate
title_full_unstemmed Crystal structure of bis­(allyl­ammonium) oxalate
title_short Crystal structure of bis­(allyl­ammonium) oxalate
title_sort crystal structure of bis­(allyl­ammonium) oxalate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257458/
https://www.ncbi.nlm.nih.gov/pubmed/25553015
http://dx.doi.org/10.1107/S1600536814023617
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