Information card for entry 2213353

Structure parameters

• Chemical name: 4a,5-Dihydro-2H-chromeno[4,3-c]pyridazin-3(4H)-one
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: O1c2ccccc2C2=NNC(=O)CC2C1
• Title of publication: 4a,5-Dihydro-2<i>H</i>-chromeno[4,3-<i>c</i>]pyridazin-3(4<i>H</i>)-one
• Authors of publication: Zhong-Zhen Zhou; Hong-Bin Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2512 - o2512
• a: 7.6838 ± 0.001 Å
• b: 7.4659 ± 0.0009 Å
• c: 33.322 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.6 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes