Information card for entry 2225076

Structure parameters

• Chemical name: 4-[4-(3-Methoxybenzamido)phenoxy]-<i>N</i>-methylpicolinamide
• Formula: C21 H19 N3 O4
• Calculated formula: C21 H19 N3 O4
• SMILES: O(c1cc(ccc1)C(=O)Nc1ccc(Oc2ccnc(c2)C(=O)NC)cc1)C
• Title of publication: 4-[4-(3-Methoxybenzamido)phenoxy]-<i>N</i>-methylpicolinamide
• Authors of publication: Meng, Na-Na; Huang, Ting-Ting; Li, De-Kuan; Zhang, Wen-Xin; Yu, Luo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o476
• a: 5.0915 ± 0.001 Å
• b: 8.3251 ± 0.0017 Å
• c: 11.611 ± 0.002 Å
• α: 71.29 ± 0.03°
• β: 87.74 ± 0.03°
• γ: 76.1 ± 0.03°
• Cell volume: 452.12 ± 0.18 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes