Information card for entry 2215418

Structure parameters

• Chemical name: <i>N</i>-[Methoxy(4-nitrophenyl)methyl]pyridin-2-amine
• Formula: C13 H13 N3 O3
• Calculated formula: C13 H13 N3 O3
• SMILES: c1(ccc(cc1)C(Nc1ccccn1)OC)N(=O)=O
• Title of publication: <i>N</i>-[Methoxy(4-nitrophenyl)methyl]pyridin-2-amine
• Authors of publication: Fang, Rui-Qin; Li, Huan-Qiu; Shi, Lei; Xiao, Zhu-Ping; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3975 - o3975
• a: 10.661 ± 0.002 Å
• b: 14.153 ± 0.003 Å
• c: 9.041 ± 0.0018 Å
• α: 90°
• β: 110.7 ± 0.03°
• γ: 90°
• Cell volume: 1276.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0889
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes