Information card for entry 2242894

Structure parameters

• Chemical name: (<i>E</i>)-2-[1-Hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol
• Formula: C20 H19 N3 O3
• Calculated formula: C20 H19 N3 O3
• SMILES: OC(Cc1ncccc1)c1cc(/N=N/c2ccc(OC)cc2)ccc1O
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol
• Authors of publication: Faizi, Md. Serajul Haque; Sen, Pratik; Saxena, Gyanesh Kumar; Golenya, Irina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 600 - 603
• a: 18.451 ± 0.005 Å
• b: 8.169 ± 0.005 Å
• c: 11.591 ± 0.005 Å
• α: 90°
• β: 100.059 ± 0.005°
• γ: 90°
• Cell volume: 1720.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes