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

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

Research output: Contribution to journalArticle

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 languageEnglish (US)
Pages (from-to)o597
JournalActa Crystallographica Section E: Structure Reports Online
Volume66
Issue number3
DOIs
StatePublished - Mar 19 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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