Information card for entry 1100225

Structure parameters

• Chemical name: (Z)-4-(1-Chloro-1-phenylmethylidene)-5-propyl-1,3-oxazolidin-2-one
• Formula: C13 H14 Cl N O2
• Calculated formula: C13 H14 Cl N O2
• SMILES: Cl/C(=C\1C(CCC)OC(=O)N1)c1ccccc1
• Title of publication: Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
• Authors of publication: Bach, Thorsten; Schlummer, Björn; Harms, Klaus
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2001
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2581 - 2594
• a: 6.9144 ± 0.0006 Å
• b: 9.352 ± 0.003 Å
• c: 19.9486 ± 0.0011 Å
• α: 90°
• β: 99.398 ± 0.009°
• γ: 90°
• Cell volume: 1272.63 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 5.93
• Weighted residual factors for significantly intense reflections: 5.93
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No