Information card for entry 2227799

Structure parameters

• Chemical name: (<i>E</i>)-2-(2<i>H</i>-Benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
• Formula: C20 H16 N4 O
• Calculated formula: C20 H16 N4 O
• SMILES: Oc1c(n2nc3ccccc3n2)cc(cc1/C=N/c1ccccc1)C
• Title of publication: (<i>E</i>)-2-(2<i>H</i>-Benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
• Authors of publication: Li, Chi-Huan; Su, Jing-Kai; Li, Chen-Yu; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2825
• a: 15.7279 ± 0.0005 Å
• b: 12.3002 ± 0.0004 Å
• c: 8.4903 ± 0.0003 Å
• α: 90°
• β: 104.842 ± 0.001°
• γ: 90°
• Cell volume: 1587.7 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes