Information card for entry 2210175

Structure parameters

• Formula: C17 H15 N3 O2
• Calculated formula: C17 H15 N3 O2
• SMILES: n1cccc2c(N=Nc3ccc(OCC)cc3)ccc(O)c12
• Title of publication: 5-(4-Ethoxyphenyldiazenyl)-8-hydroxyquinoline
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Saylam, Aytül; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4130 - o4131
• a: 10.5985 ± 0.0003 Å
• b: 11.297 ± 0.0002 Å
• c: 12.7652 ± 0.0003 Å
• α: 90°
• β: 107.697 ± 0.001°
• γ: 90°
• Cell volume: 1456.07 ± 0.06 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: 0.1816
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes