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

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.

SUBMITTER: Nichol GS

PROVIDER: S-EPMC2983708 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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

Nichol Gary S GS Gunawan Steven S Xu Zhigang Z Dietrich Justin J Hulme Christopher C

Acta crystallographica. Section E, Structure reports online 20100213 Pt 3

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. ...[more]

PMID: 21580358

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