Information card for entry 2231257

Structure parameters

• Chemical name: 1-Diazonaphthalen-2(1<i>H</i>)-one
• Formula: C10 H6 N2 O
• Calculated formula: C10 H6 N2 O
• SMILES: O=C1C(=N#N)c2c(C=C1)cccc2
• Title of publication: 1-Diazonaphthalen-2(1<i>H</i>)-one
• Authors of publication: Kitamura, Mitsuru; Sakata, Rie; Matsumoto, Taisuke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1951
• a: 11.9 ± 0.002 Å
• b: 9.1978 ± 0.0015 Å
• c: 14.521 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1589.4 ± 0.5 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes