2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate

The title compound, C(8)H(13)Br(2)NO(3), crystallizes as a non-merohedral twin with twin law −0.6 0 0.4/0 − 1 0 /1.6 0 0.6, and the structure has a refined twin domain ratio of 0.546 (5). The structure shows a compact conformation, with the ester unit roughly coplanar with a mean plane fitted throug...

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Detalles Bibliográficos
Autores principales: Nichol, Gary S., Gunawan, Steven, Xu, Zhigang, Dietrich, Justin, Hulme, Christopher
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983708/
https://www.ncbi.nlm.nih.gov/pubmed/21580358
http://dx.doi.org/10.1107/S1600536810005106
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author Nichol, Gary S.
Gunawan, Steven
Xu, Zhigang
Dietrich, Justin
Hulme, Christopher
author_facet Nichol, Gary S.
Gunawan, Steven
Xu, Zhigang
Dietrich, Justin
Hulme, Christopher
author_sort Nichol, Gary S.
collection PubMed
description The title compound, C(8)H(13)Br(2)NO(3), crystallizes as a non-merohedral twin with twin law −0.6 0 0.4/0 − 1 0 /1.6 0 0.6, and the structure has a refined twin domain ratio of 0.546 (5). The structure shows a compact conformation, with the ester unit roughly coplanar with a mean plane fitted through the non-H atoms of the pyrrolidine ring [dihedral angle = 8.23 (9)°]. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate an R (2) (2)(12) motif.
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spelling pubmed-29837082010-12-30 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate Nichol, Gary S. Gunawan, Steven Xu, Zhigang Dietrich, Justin Hulme, Christopher Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(13)Br(2)NO(3), crystallizes as a non-merohedral twin with twin law −0.6 0 0.4/0 − 1 0 /1.6 0 0.6, and the structure has a refined twin domain ratio of 0.546 (5). The structure shows a compact conformation, with the ester unit roughly coplanar with a mean plane fitted through the non-H atoms of the pyrrolidine ring [dihedral angle = 8.23 (9)°]. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate an R (2) (2)(12) motif. International Union of Crystallography 2010-02-13 /pmc/articles/PMC2983708/ /pubmed/21580358 http://dx.doi.org/10.1107/S1600536810005106 Text en © Nichol et al. 2010 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
Nichol, Gary S.
Gunawan, Steven
Xu, Zhigang
Dietrich, Justin
Hulme, Christopher
2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title_full 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title_fullStr 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title_full_unstemmed 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title_short 2-Propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
title_sort 2-propyl 3,3-dibromo-2-hydroxy­pyrrolidine-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983708/
https://www.ncbi.nlm.nih.gov/pubmed/21580358
http://dx.doi.org/10.1107/S1600536810005106
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AT dietrichjustin 2propyl33dibromo2hydroxypyrrolidine1carboxylate
AT hulmechristopher 2propyl33dibromo2hydroxypyrrolidine1carboxylate

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