Information card for entry 2238399

Structure parameters

• Chemical name: 1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: Cc1ccc(c(c1)N/N=C1\C(=O)C=Cc2c1cccc2)O
• Title of publication: 1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate
• Authors of publication: Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1322 - o1323
• a: 14.541 ± 0.005 Å
• b: 6.052 ± 0.005 Å
• c: 32.633 ± 0.005 Å
• α: 90°
• β: 101.871 ± 0.005°
• γ: 90°
• Cell volume: 2810 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes