Cargando…

Redetermination of the solvent-free crystal structure of l-proline

The title compound, (S)-pyrrolidine-2-carb­oxy­lic acid (C(5)H(9)NO(2)), commonly known as l-proline, crystallized without the inclusion of any solvent or water mol­ecules through the slow diffusion of diethyl ether into a saturated solution of l-proline in ethanol. l-Proline crystallized in its zwi...

Descripción completa

Detalles Bibliográficos
Autores principales: Koenig, Jonas J., Neudörfl, Jörg-M., Hansen, Anne, Breugst, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072995/
https://www.ncbi.nlm.nih.gov/pubmed/30116563
http://dx.doi.org/10.1107/S2056989018009490
_version_ 1783344093903978496
author Koenig, Jonas J.
Neudörfl, Jörg-M.
Hansen, Anne
Breugst, Martin
author_facet Koenig, Jonas J.
Neudörfl, Jörg-M.
Hansen, Anne
Breugst, Martin
author_sort Koenig, Jonas J.
collection PubMed
description The title compound, (S)-pyrrolidine-2-carb­oxy­lic acid (C(5)H(9)NO(2)), commonly known as l-proline, crystallized without the inclusion of any solvent or water mol­ecules through the slow diffusion of diethyl ether into a saturated solution of l-proline in ethanol. l-Proline crystallized in its zwitterionic form and the mol­ecules are linked via N—H⋯O hydrogen bonds, resulting in a two-dimensional network. In comparison to the only other publication of a single-crystal structure of l-proline without inclusions [Kayushina & Vainshtein (1965 ▸). Kristallografiya, 10, 833–844], the R (1) value is significantly improved (0.039 versus 0.169) and thus, our data provides higher precision structural information.
format Online
Article
Text
id pubmed-6072995
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-60729952018-08-16 Redetermination of the solvent-free crystal structure of l-proline Koenig, Jonas J. Neudörfl, Jörg-M. Hansen, Anne Breugst, Martin Acta Crystallogr E Crystallogr Commun Research Communications The title compound, (S)-pyrrolidine-2-carb­oxy­lic acid (C(5)H(9)NO(2)), commonly known as l-proline, crystallized without the inclusion of any solvent or water mol­ecules through the slow diffusion of diethyl ether into a saturated solution of l-proline in ethanol. l-Proline crystallized in its zwitterionic form and the mol­ecules are linked via N—H⋯O hydrogen bonds, resulting in a two-dimensional network. In comparison to the only other publication of a single-crystal structure of l-proline without inclusions [Kayushina & Vainshtein (1965 ▸). Kristallografiya, 10, 833–844], the R (1) value is significantly improved (0.039 versus 0.169) and thus, our data provides higher precision structural information. International Union of Crystallography 2018-07-10 /pmc/articles/PMC6072995/ /pubmed/30116563 http://dx.doi.org/10.1107/S2056989018009490 Text en © Koenig et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Koenig, Jonas J.
Neudörfl, Jörg-M.
Hansen, Anne
Breugst, Martin
Redetermination of the solvent-free crystal structure of l-proline
title Redetermination of the solvent-free crystal structure of l-proline
title_full Redetermination of the solvent-free crystal structure of l-proline
title_fullStr Redetermination of the solvent-free crystal structure of l-proline
title_full_unstemmed Redetermination of the solvent-free crystal structure of l-proline
title_short Redetermination of the solvent-free crystal structure of l-proline
title_sort redetermination of the solvent-free crystal structure of l-proline
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072995/
https://www.ncbi.nlm.nih.gov/pubmed/30116563
http://dx.doi.org/10.1107/S2056989018009490
work_keys_str_mv AT koenigjonasj redeterminationofthesolventfreecrystalstructureoflproline
AT neudorfljorgm redeterminationofthesolventfreecrystalstructureoflproline
AT hansenanne redeterminationofthesolventfreecrystalstructureoflproline
AT breugstmartin redeterminationofthesolventfreecrystalstructureoflproline