Information card for entry 2234300

Structure parameters

• Chemical name: 4-(4-Nitrophenyl)morpholine
• Formula: C10 H12 N2 O3
• Calculated formula: C10 H12 N2 O3
• SMILES: O1CCN(CC1)c1ccc(N(=O)=O)cc1
• Title of publication: 4-(4-Nitrophenyl)morpholine
• Authors of publication: Wang, Li-Jiao; Li, Wei-Wei; Yang, Sheng-Yong; Yang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1235
• a: 14.5445 ± 0.0006 Å
• b: 8.3832 ± 0.0003 Å
• c: 16.2341 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1979.41 ± 0.13 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: 0.074
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes