Allyl­ammonium hydrogen oxalate hemihydrate

In the title hydrated mol­ecular salt, C(3)H(8)N(+)·C(2)HO(4) (−)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO(2) and CO(2)H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen...

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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:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158551/
https://www.ncbi.nlm.nih.gov/pubmed/25249903
http://dx.doi.org/10.1107/S1600536814015190
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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 In the title hydrated mol­ecular salt, C(3)H(8)N(+)·C(2)HO(4) (−)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO(2) and CO(2)H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen oxalate ions are linked by O—H⋯O hydrogen bonds, generating [010] chains. The allyl­ammonium cations bond to the chains through N—H⋯O and N—H⋯(O,O) hydrogen bonds. The water mol­ecule accepts two N—H⋯O hydrogen bonds and makes two O—H⋯O hydrogen bonds. Together, the hydrogen bonds generate (100) sheets.
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spelling pubmed-41585512014-09-23 Allyl­ammonium hydrogen oxalate hemihydrate Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated mol­ecular salt, C(3)H(8)N(+)·C(2)HO(4) (−)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO(2) and CO(2)H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen oxalate ions are linked by O—H⋯O hydrogen bonds, generating [010] chains. The allyl­ammonium cations bond to the chains through N—H⋯O and N—H⋯(O,O) hydrogen bonds. The water mol­ecule accepts two N—H⋯O hydrogen bonds and makes two O—H⋯O hydrogen bonds. Together, the hydrogen bonds generate (100) sheets. International Union of Crystallography 2014-07-05 /pmc/articles/PMC4158551/ /pubmed/25249903 http://dx.doi.org/10.1107/S1600536814015190 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 Organic Papers
Dziuk, Błażej
Zarychta, Bartosz
Ejsmont, Krzysztof
Allyl­ammonium hydrogen oxalate hemihydrate
title Allyl­ammonium hydrogen oxalate hemihydrate
title_full Allyl­ammonium hydrogen oxalate hemihydrate
title_fullStr Allyl­ammonium hydrogen oxalate hemihydrate
title_full_unstemmed Allyl­ammonium hydrogen oxalate hemihydrate
title_short Allyl­ammonium hydrogen oxalate hemihydrate
title_sort allyl­ammonium hydrogen oxalate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158551/
https://www.ncbi.nlm.nih.gov/pubmed/25249903
http://dx.doi.org/10.1107/S1600536814015190
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AT zarychtabartosz allylammoniumhydrogenoxalatehemihydrate
AT ejsmontkrzysztof allylammoniumhydrogenoxalatehemihydrate

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