Information card for entry 2221145

Structure parameters

• Chemical name: (<i>E</i>)-4-[(4-Methoxyphenyl)iminomethyl]-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C16 H18 N2 O
• Calculated formula: C16 H18 N2 O
• SMILES: COc1ccc(cc1)/N=C/c1ccc(cc1)N(C)C
• Title of publication: (<i>E</i>)-4-[(4-Methoxyphenyl)iminomethyl]-<i>N</i>,<i>N</i>-dimethylaniline
• Authors of publication: Sundararaman, Leela; Ramu, Hema; Kandaswamy, Ramamurthi; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o477
• a: 9.6638 ± 0.0006 Å
• b: 28.5819 ± 0.0015 Å
• c: 9.9729 ± 0.0007 Å
• α: 90°
• β: 98.741 ± 0.005°
• γ: 90°
• Cell volume: 2722.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes