Information card for entry 2211576

Structure parameters

• Chemical name: 2-(3-Nitrophenyl)-2-oxazoline
• Formula: C9 H8 N2 O3
• Calculated formula: C9 H8 N2 O3
• Title of publication: 2-(3-Nitrophenyl)-2-oxazoline
• Authors of publication: Andreas Decken; Laura Botelho; Amber L. Sadowy; Paras N. Yadav; Robert A. Gossage
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5414 - o5416
• a: 6.091 ± 0.0005 Å
• b: 19.7825 ± 0.0018 Å
• c: 7.1119 ± 0.0007 Å
• α: 90°
• β: 95.584 ± 0.002°
• γ: 90°
• Cell volume: 852.88 ± 0.13 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes