Cargando…

Creatininium 2-chloro­acetate

In the title compound (systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 2-chloro­acetate), C(4)H(8)N(3)O(+)·C(2)H(2)ClO(2) (−), the mol­ecular aggregations are stabil­ized through classical (N—H⋯O) and non-classical (C—H⋯O and C—H⋯N) hydrogen-bonding inter­actions. The cations a...

Descripción completa

Detalles Bibliográficos
Autores principales: Ali, A. Jahubar, Athimoolam, S., Bahadur, S. Asath
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344436/
https://www.ncbi.nlm.nih.gov/pubmed/22590198
http://dx.doi.org/10.1107/S1600536812012068
_version_ 1782231991350984704
author Ali, A. Jahubar
Athimoolam, S.
Bahadur, S. Asath
author_facet Ali, A. Jahubar
Athimoolam, S.
Bahadur, S. Asath
author_sort Ali, A. Jahubar
collection PubMed
description In the title compound (systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 2-chloro­acetate), C(4)H(8)N(3)O(+)·C(2)H(2)ClO(2) (−), the mol­ecular aggregations are stabil­ized through classical (N—H⋯O) and non-classical (C—H⋯O and C—H⋯N) hydrogen-bonding inter­actions. The cations are linked to the anions, forming ion pairs through two N—H⋯O bonds that produce characteristic R (2) (2)(8) ring motifs. These cation–anion pairs are connected through another N—H⋯O hydrogen bond, leading to an R (4) (2)(8) ring motif. Further weak C—H⋯N inter­actions link the mol­ecules along the a axis, while other C—H⋯O inter­actions generate zigzag chains extending along b.
format Online
Article
Text
id pubmed-3344436
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33444362012-05-15 Creatininium 2-chloro­acetate Ali, A. Jahubar Athimoolam, S. Bahadur, S. Asath Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound (systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 2-chloro­acetate), C(4)H(8)N(3)O(+)·C(2)H(2)ClO(2) (−), the mol­ecular aggregations are stabil­ized through classical (N—H⋯O) and non-classical (C—H⋯O and C—H⋯N) hydrogen-bonding inter­actions. The cations are linked to the anions, forming ion pairs through two N—H⋯O bonds that produce characteristic R (2) (2)(8) ring motifs. These cation–anion pairs are connected through another N—H⋯O hydrogen bond, leading to an R (4) (2)(8) ring motif. Further weak C—H⋯N inter­actions link the mol­ecules along the a axis, while other C—H⋯O inter­actions generate zigzag chains extending along b. International Union of Crystallography 2012-04-04 /pmc/articles/PMC3344436/ /pubmed/22590198 http://dx.doi.org/10.1107/S1600536812012068 Text en © Ali 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
Ali, A. Jahubar
Athimoolam, S.
Bahadur, S. Asath
Creatininium 2-chloro­acetate
title Creatininium 2-chloro­acetate
title_full Creatininium 2-chloro­acetate
title_fullStr Creatininium 2-chloro­acetate
title_full_unstemmed Creatininium 2-chloro­acetate
title_short Creatininium 2-chloro­acetate
title_sort creatininium 2-chloro­acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344436/
https://www.ncbi.nlm.nih.gov/pubmed/22590198
http://dx.doi.org/10.1107/S1600536812012068
work_keys_str_mv AT aliajahubar creatininium2chloroacetate
AT athimoolams creatininium2chloroacetate
AT bahadursasath creatininium2chloroacetate