Information card for entry 2224353

Structure parameters

• Chemical name: 4,5-Dichloro-2-methylpyridazin-3(2<i>H</i>)-one
• Formula: C5 H4 Cl2 N2 O
• Calculated formula: C5 H4 Cl2 N2 O
• SMILES: Cn1ncc(c(c1=O)Cl)Cl
• Title of publication: 4,5-Dichloro-2-methylpyridazin-3(2<i>H</i>)-one
• Authors of publication: Goh, Jia Hao; Fun, Hoong-Kun; Rukmini, P. V. R.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3055
• a: 6.5157 ± 0.0001 Å
• b: 15.9127 ± 0.0004 Å
• c: 13.5175 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1401.53 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes