Information card for entry 2216470

Structure parameters

• Chemical name: 4-{2-[Methyl(2-pyridyl)amino]ethoxy}benzaldehyde
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• SMILES: O(CCN(c1ncccc1)C)c1ccc(cc1)C=O
• Title of publication: 4-{2-[Methyl(2-pyridyl)amino]ethoxy}benzaldehyde
• Authors of publication: Hou, Jingli; Zheng, Chao; Li, Hui; Zhang, Xinge; Li, Chaoxing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4875 - o4875
• a: 6.1995 ± 0.0019 Å
• b: 9.416 ± 0.003 Å
• c: 11.714 ± 0.003 Å
• α: 90°
• β: 98.328 ± 0.005°
• γ: 90°
• Cell volume: 676.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes