Information card for entry 2238006

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole
• Formula: C14 H10 N2 O3
• Calculated formula: C14 H10 N2 O3
• Title of publication: 2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole
• Authors of publication: Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o667 - o668
• a: 27.251 ± 0.004 Å
• b: 7.4457 ± 0.0006 Å
• c: 11.99 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2432.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes