Information card for entry 2222740

Structure parameters

• Chemical name: 1-(4-Cyanophenyldiazen-2-ium-1-yl)-2-naphtholate
• Formula: C17 H11 N3 O
• Calculated formula: C17 H11 N3 O
• SMILES: O=C1C(=N\Nc2ccc(cc2)C#N)/c2c(C=C1)cccc2
• Title of publication: 1-(4-Cyanophenyldiazen-2-ium-1-yl)-2-naphtholate
• Authors of publication: Yu, Yan-Hong; Qian, Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2033
• a: 5.2673 ± 0.0011 Å
• b: 9.91 ± 0.002 Å
• c: 25.239 ± 0.006 Å
• α: 90°
• β: 96.13 ± 0.03°
• γ: 90°
• Cell volume: 1309.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes