Information card for entry 2226204

Structure parameters

• Chemical name: 7,9-Dichloro-6<i>H</i>,12<i>H</i>-indolo[2,1-<i>b</i>]quinazoline-6,12-dione
• Formula: C15 H6 Cl2 N2 O2
• Calculated formula: C15 H6 Cl2 N2 O2
• SMILES: Clc1cc(Cl)c2c(c1)n1c(C2=O)nc2c(c1=O)cccc2
• Title of publication: 7,9-Dichloro-6<i>H</i>,12<i>H</i>-indolo[2,1-<i>b</i>]quinazoline-6,12-dione
• Authors of publication: Grundt, Peter; Douglas, Kelsi A.; Krivogorsky, Bogdana; Nemykin, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1474 - o1475
• a: 7.0179 ± 0.0002 Å
• b: 10.7276 ± 0.0003 Å
• c: 17.2338 ± 0.0012 Å
• α: 94.908 ± 0.007°
• β: 96.709 ± 0.007°
• γ: 107.395 ± 0.008°
• Cell volume: 1219.66 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes