Information card for entry 2239111

Structure parameters

• Chemical name: 1-Nitro-9<i>H</i>-carbazole
• Formula: C12 H8 N2 O2
• Calculated formula: C12 H8 N2 O2
• SMILES: O=N(=O)c1c2[nH]c3c(c2ccc1)cccc3
• Title of publication: 1-Nitro-9<i>H</i>-carbazole
• Authors of publication: Kautny, Paul; Stöger, Berthold
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o28
• a: 10.44 ± 0.0003 Å
• b: 5.3148 ± 0.0002 Å
• c: 17.2638 ± 0.0006 Å
• α: 90°
• β: 99.746 ± 0.0016°
• γ: 90°
• Cell volume: 944.08 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0472
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes