Information card for entry 2220504

Structure parameters

• Chemical name: 2-(3-Methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• Title of publication: 2-(3-Methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole
• Authors of publication: Lei, Dongwei; Yang, Huibin; Li, Bin; Kang, Zhuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o54
• a: 7.7767 ± 0.001 Å
• b: 7.337 ± 0.001 Å
• c: 8.6468 ± 0.0012 Å
• α: 90°
• β: 99.414 ± 0.002°
• γ: 90°
• Cell volume: 486.72 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes