Information card for entry 1100182

Structure parameters

• Chemical name: threo-4-(Chloro(phenyl)methyl)-1,3-oxazolidin-2-one
• Formula: C10 H10 Cl N O2
• Calculated formula: C10 H10 Cl N O2
• SMILES: Cl[C@H]([C@H]1NC(=O)OC1)c1ccccc1.Cl[C@@H]([C@@H]1NC(=O)OC1)c1ccccc1
• Title of publication: Iron(II)-catalyzed intramolecular aminochlorination of alkenes
• Authors of publication: Bach, Thorsten; Schlummer, Björn; Harms, Klaus
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 287 - 288
• a: 7.8902 ± 0.0002 Å
• b: 5.8375 ± 0.0003 Å
• c: 20.5524 ± 0.0007 Å
• α: 90°
• β: 94.175 ± 0.004°
• γ: 90°
• Cell volume: 944.112 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 4.59
• Weighted residual factors for significantly intense reflections: 4.59
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No