Information card for entry 2016748

Structure parameters

• Chemical name: 1-[4-(dimethylamino)phenyldiazenyl]-2-naphthol
• Formula: C18 H17 N3 O
• Calculated formula: C18 H17 N3 O
• SMILES: Oc1ccc2ccccc2c1N=Nc1ccc(N(C)C)cc1
• Title of publication: Two azo pigments based on β-naphthol
• Authors of publication: Schmidt, Martin U.; Brüning, Jürgen; Wirth, Daniela; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o474 - o477
• a: 7.6443 ± 0.0006 Å
• b: 8.0127 ± 0.0006 Å
• c: 24.512 ± 0.002 Å
• α: 90°
• β: 98.64 ± 0.006°
• γ: 90°
• Cell volume: 1484.4 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes