Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate

In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (−), the imidazole­carboxyl­ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046 (5) Å], with a dihedral angle between the rings of 2.7 (2)°. This conformation is maintained by the presence of both intra­molecular c...

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Detalles Bibliográficos
Autores principales: Dai, Chuntao, Nie, Jianhua, Lin, Yuehua, Wang, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415035/
https://www.ncbi.nlm.nih.gov/pubmed/22905022
http://dx.doi.org/10.1107/S1600536812033557
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author Dai, Chuntao
Nie, Jianhua
Lin, Yuehua
Wang, Jun
author_facet Dai, Chuntao
Nie, Jianhua
Lin, Yuehua
Wang, Jun
author_sort Dai, Chuntao
collection PubMed
description In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (−), the imidazole­carboxyl­ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046 (5) Å], with a dihedral angle between the rings of 2.7 (2)°. This conformation is maintained by the presence of both intra­molecular carb­oxy–carboxyl­ate O—H⋯O and imidazole–oxide N—H⋯O hydrogen bonds. Iin the crystal, cation–carboxyl­ate N—H⋯O and cation–imidazole N—H⋯N hydrogen bonds result in chains along the b axis.
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spelling pubmed-34150352012-08-17 Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate Dai, Chuntao Nie, Jianhua Lin, Yuehua Wang, Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (−), the imidazole­carboxyl­ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046 (5) Å], with a dihedral angle between the rings of 2.7 (2)°. This conformation is maintained by the presence of both intra­molecular carb­oxy–carboxyl­ate O—H⋯O and imidazole–oxide N—H⋯O hydrogen bonds. Iin the crystal, cation–carboxyl­ate N—H⋯O and cation–imidazole N—H⋯N hydrogen bonds result in chains along the b axis. International Union of Crystallography 2012-07-28 /pmc/articles/PMC3415035/ /pubmed/22905022 http://dx.doi.org/10.1107/S1600536812033557 Text en © Dai et al. 2012 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
Dai, Chuntao
Nie, Jianhua
Lin, Yuehua
Wang, Jun
Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title_full Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title_fullStr Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title_full_unstemmed Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title_short Dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car­box­yl­ate
title_sort dimethyl­ammonium 5-carb­oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1h-imidazole-4-car­box­yl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415035/
https://www.ncbi.nlm.nih.gov/pubmed/22905022
http://dx.doi.org/10.1107/S1600536812033557
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AT niejianhua dimethylammonium5carboxy21oxo1l5pyridin2yl1himidazole4carboxylate
AT linyuehua dimethylammonium5carboxy21oxo1l5pyridin2yl1himidazole4carboxylate
AT wangjun dimethylammonium5carboxy21oxo1l5pyridin2yl1himidazole4carboxylate

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