Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate

In the title hydrated mol­ecular salt, C(4)H(12)N(+)·C(2)HO(4) (−)·0.5H(2)O, the O atom of the water mol­ecule lies on a crystallographic twofold axis. The dihedral angle between the CO(2) and CO(2)H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong...

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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:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257255/
https://www.ncbi.nlm.nih.gov/pubmed/25484814
http://dx.doi.org/10.1107/S1600536814022697
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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(4)H(12)N(+)·C(2)HO(4) (−)·0.5H(2)O, the O atom of the water mol­ecule lies on a crystallographic twofold axis. The dihedral angle between the CO(2) and CO(2)H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H⋯O hydrogen bonds. The water mol­ecules are located between the chains of anions and iso­butyl­amine cations; their O atoms participate as donors and acceptors, respectively, in O—H⋯O and N—H⋯O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].
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spelling pubmed-42572552014-12-05 Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate Dziuk, Błażej Zarychta, Bartosz Ejsmont, Krzysztof Acta Crystallogr Sect E Struct Rep Online Data Reports In the title hydrated mol­ecular salt, C(4)H(12)N(+)·C(2)HO(4) (−)·0.5H(2)O, the O atom of the water mol­ecule lies on a crystallographic twofold axis. The dihedral angle between the CO(2) and CO(2)H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H⋯O hydrogen bonds. The water mol­ecules are located between the chains of anions and iso­butyl­amine cations; their O atoms participate as donors and acceptors, respectively, in O—H⋯O and N—H⋯O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010]. International Union of Crystallography 2014-10-24 /pmc/articles/PMC4257255/ /pubmed/25484814 http://dx.doi.org/10.1107/S1600536814022697 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 iso­butyl­ammonium hydrogen oxalate hemihydrate
title Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
title_full Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
title_fullStr Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
title_full_unstemmed Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
title_short Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
title_sort crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257255/
https://www.ncbi.nlm.nih.gov/pubmed/25484814
http://dx.doi.org/10.1107/S1600536814022697
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