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) |
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Pages (from-to) | o597 |
Journal | Acta Crystallographica Section E: Structure Reports Online |
Volume | 66 |
Issue number | 3 |
DOIs | |
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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CCDC 769990: Experimental Crystal Structure Determination
Nichol, G. S. (Creator), Gunawan, S. (Creator), Xu, Z. (Creator), Dietrich, J. (Creator) & Hulme, C. (Creator), Cambridge Crystallographic Data Centre, 2010
DOI: 10.5517/cctv7d8, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cctv7d8&sid=DataCite
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