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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...
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/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. |
format | Online Article Text |
id | pubmed-4257458 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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