Information card for entry 2238453

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C1C=Cc2c(/C1=N/Nc1ccccc1)cccc2
• Title of publication: (<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate
• Authors of publication: Bougueria, Hassiba; Chetioui, Souheyla; Boudraa, Issam; el kader Bouchoul, Abd; Bouaoud, Salah Eddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1335 - o1336
• a: 13.08 ± 0.0012 Å
• b: 13.517 ± 0.0013 Å
• c: 7.008 ± 0.0004 Å
• α: 90°
• β: 94.14 ± 0.006°
• γ: 90°
• Cell volume: 1235.8 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes