Information card for entry 2010206

Structure parameters

• Formula: C8 H5 Cl N2 O
• Calculated formula: C8 H5 Cl N2 O
• Title of publication: 6-Chloro-4(1<i>H</i>)-cinnolinone
• Authors of publication: Gλówka, M.L.; Iwanicka, I.; Olczak, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1770 - 1772
• a: 3.793 ± 0.0006 Å
• b: 15.704 ± 0.002 Å
• c: 25.035 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1491.2 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 0.77
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No