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

Gary S. Nichol; Steven Gunawan; Zhigang Xu; Justin Dietrich; Christopher Hulme

doi:10.1107/S1600536810005106

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

Gary S. Nichol, Steven Gunawan, Zhigang Xu, Justin Dietrich, Christopher Hulme

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The title compound, C₈H₁₃Br₂NO 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.

Original language	English (US)
Pages (from-to)	o597
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	66
Issue number	3
DOIs	https://doi.org/10.1107/S1600536810005106
State	Published - 2010

Keywords

Data-to-parameter ratio = 69.4
Mean σ(C-C) = 0.002 Å
R factor = 0.032
Single-crystal X-ray study
T = 100 K
WR factor = 0.082

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1107/S1600536810005106

Cite this

@article{fdbf091a4b6d48688dd79c191f4ee92b,

title = "2-Propyl 3,3-dibromo-2-hydroxypyrrolidine-1-carboxylate",

abstract = "The title compound, C8H13Br2NO 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.",

keywords = "Data-to-parameter ratio = 69.4, Mean σ(C-C) = 0.002 {\AA}, R factor = 0.032, Single-crystal X-ray study, T = 100 K, WR factor = 0.082",

author = "Nichol, {Gary S.} and Steven Gunawan and Zhigang Xu and Justin Dietrich and Christopher Hulme",

year = "2010",

doi = "10.1107/S1600536810005106",

language = "English (US)",

volume = "66",

pages = "o597",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "3",

}

TY - JOUR

T1 - 2-Propyl 3,3-dibromo-2-hydroxypyrrolidine-1-carboxylate

AU - Nichol, Gary S.

AU - Gunawan, Steven

AU - Xu, Zhigang

AU - Dietrich, Justin

AU - Hulme, Christopher

PY - 2010

Y1 - 2010

N2 - The title compound, C8H13Br2NO 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.

AB - The title compound, C8H13Br2NO 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.

KW - Data-to-parameter ratio = 69.4

KW - Mean σ(C-C) = 0.002 Å

KW - R factor = 0.032

KW - Single-crystal X-ray study

KW - T = 100 K

KW - WR factor = 0.082

UR - http://www.scopus.com/inward/record.url?scp=77949405683&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77949405683&partnerID=8YFLogxK

U2 - 10.1107/S1600536810005106

DO - 10.1107/S1600536810005106

M3 - Article

C2 - 21580358

AN - SCOPUS:77949405683

VL - 66

SP - o597

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 3

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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CCDC 769990: Experimental Crystal Structure Determination

Cite this

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

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CCDC 769990: Experimental Crystal Structure Determination

Cite this