2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate

The title compound, C(6)H(11)N(3)O(2), is a cyclized derivative of l-arginine and the mol­ecule is a zwitterion with the positive and negative charge residing in the guanidinium and carboxyl­ate groups, respectively. The conformation of 1,3-diazepane ring is close to a twisted chair. One intra­molec...

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Detalles Bibliográficos
Autor principal: Yang, Feng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050370/
https://www.ncbi.nlm.nih.gov/pubmed/21522613
http://dx.doi.org/10.1107/S1600536810049676
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author Yang, Feng
author_facet Yang, Feng
author_sort Yang, Feng
collection PubMed
description The title compound, C(6)H(11)N(3)O(2), is a cyclized derivative of l-arginine and the mol­ecule is a zwitterion with the positive and negative charge residing in the guanidinium and carboxyl­ate groups, respectively. The conformation of 1,3-diazepane ring is close to a twisted chair. One intra­molecular and three inter­molecular N—H⋯O hydrogen bonds stabilize the mol­ecular conformation and the crystal structure, respectively.
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spelling pubmed-30503702011-04-26 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate Yang, Feng Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(6)H(11)N(3)O(2), is a cyclized derivative of l-arginine and the mol­ecule is a zwitterion with the positive and negative charge residing in the guanidinium and carboxyl­ate groups, respectively. The conformation of 1,3-diazepane ring is close to a twisted chair. One intra­molecular and three inter­molecular N—H⋯O hydrogen bonds stabilize the mol­ecular conformation and the crystal structure, respectively. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050370/ /pubmed/21522613 http://dx.doi.org/10.1107/S1600536810049676 Text en © Feng Yang 2011 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
Yang, Feng
2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title_full 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title_fullStr 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title_full_unstemmed 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title_short 2-Imi­niumyl-1,3-diazepane-4-carboxyl­ate
title_sort 2-imi­niumyl-1,3-diazepane-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050370/
https://www.ncbi.nlm.nih.gov/pubmed/21522613
http://dx.doi.org/10.1107/S1600536810049676
work_keys_str_mv AT yangfeng 2iminiumyl13diazepane4carboxylate

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