Information card for entry 2202125

Structure parameters

• Chemical name: 3-Carbazoyl-5-methylpyridazin-6(1H)-one
• Formula: C6 H8 N4 O2
• Calculated formula: C6 H8 N4 O2
• SMILES: c1(=O)c(cc(C(=O)NN)n[nH]1)C
• Title of publication: 3-Carbazoyl-5-methylpyridazin-6(1<i>H</i>)-one
• Authors of publication: Cheng, Xin-Guo; Li, Yi-Zhi; Fu, Xing-Guo; Cao, Lei; Hu, Zhi-De
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o601 - o602
• a: 7.359 ± 0.001 Å
• b: 10.261 ± 0.001 Å
• c: 10.005 ± 0.001 Å
• α: 90°
• β: 101.3 ± 0.01°
• γ: 90°
• Cell volume: 740.84 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes