Information card for entry 2244066

Structure parameters

• Chemical name: <i>N</i>-(1<i>H</i>-Indol-2-ylmethylidene)-4-methoxyaniline
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: O(c1ccc(/N=C/c2[nH]c3c(c2)cccc3)cc1)C
• Title of publication: Crystal structure of <i>N</i>-(1<i>H</i>-indol-2-ylmethylidene)-4-methoxyaniline
• Authors of publication: Taneda, Masatsugu; Nishi, Masato; Kubono, Koji; Kashiwagi, Yukiyasu; Matsumoto, Taisuke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 449 - 452
• a: 5.87685 ± 0.00019 Å
• b: 7.5999 ± 0.0003 Å
• c: 28.4578 ± 0.0011 Å
• α: 90°
• β: 90.604 ± 0.003°
• γ: 90°
• Cell volume: 1270.95 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0563
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes