Information card for entry 2238688

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Formylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
• Formula: C17 H12 N2 O2
• Calculated formula: C17 H12 N2 O2
• SMILES: O=Cc1cccc(c1)N/N=C1\C(=O)C=Cc2c1cccc2
• Title of publication: (<i>E</i>)-1-(3-Formylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
• Authors of publication: Mili, Assia; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abdelkader; Bouaoud, Salah Eddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1498
• a: 5.601 ± 0.004 Å
• b: 7.78 ± 0.005 Å
• c: 29.7 ± 0.02 Å
• α: 90°
• β: 94.624 ± 0.016°
• γ: 90°
• Cell volume: 1290 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1272
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No