Information card for entry 2011801

Structure parameters

• Formula: C8 H8 N2 O2
• Calculated formula: C8 H8 N2 O2
• SMILES: c12c(cccc1)CCN2N(=O)=O
• Title of publication: 1-Nitroindoline
• Authors of publication: Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 304 - 305
• a: 5.886 ± 0.002 Å
• b: 8.402 ± 0.003 Å
• c: 8.923 ± 0.003 Å
• α: 116.8 ± 0.03°
• β: 104.04 ± 0.03°
• γ: 92.53 ± 0.03°
• Cell volume: 376.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No