Information card for entry 2006498

Structure parameters

• Chemical name: 1-methyl-1-(1-iodoethyl)-2-oxazolidinone
• Formula: C6 H10 I N O2
• Calculated formula: C6 H10 I N O2
• SMILES: I[C@H](C)[C@@]1(NC(=O)OC1)C.I[C@@H](C)[C@]1(NC(=O)OC1)C
• Title of publication: Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates
• Authors of publication: Mague, Joel T.; Ensley, Harry E.; Ling, Jing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1347 - 1350
• a: 6.165 ± 0.0009 Å
• b: 6.762 ± 0.001 Å
• c: 11.761 ± 0.001 Å
• α: 102.81 ± 0.01°
• β: 90.09 ± 0.01°
• γ: 117.05 ± 0.01°
• Cell volume: 422.82 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No