Information card for entry 2229863

Structure parameters

• Chemical name: 4-(4-Nitrobenzyl)morpholine
• Formula: C11 H14 N2 O3
• Calculated formula: C11 H14 N2 O3
• SMILES: O1CCN(Cc2ccc(N(=O)=O)cc2)CC1
• Title of publication: 4-(4-Nitrobenzyl)morpholine
• Authors of publication: Yang, Ling-Ling; Zheng, Ren-Lin; Li, Guo-Bo; Sun, Qi-Zheng; Xie, Yong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o754
• a: 6.1371 ± 0.0002 Å
• b: 8.2535 ± 0.0004 Å
• c: 21.9867 ± 0.0009 Å
• α: 90°
• β: 94.929 ± 0.003°
• γ: 90°
• Cell volume: 1109.56 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0672
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes