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2-Propyl 3,3-dibromo-2-hydroxy-pyrrolidine-1-carboxyl-ate.

Nichol GS, Gunawan S, Xu Z, Dietrich J, Hulme C - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: 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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ABSTRACT
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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The molecular structure of (I) with anisotropic displacement ellipsoids at the 50% probability level.
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Fap1: The molecular structure of (I) with anisotropic displacement ellipsoids at the 50% probability level.


2-Propyl 3,3-dibromo-2-hydroxy-pyrrolidine-1-carboxyl-ate.

Nichol GS, Gunawan S, Xu Z, Dietrich J, Hulme C - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of (I) with anisotropic displacement ellipsoids at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983708&req=5

Fap1: The molecular structure of (I) with anisotropic displacement ellipsoids at the 50% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus