Information card for entry 2229974

Structure parameters

• Chemical name: 2-Benzyl-6-benzyloxypyridazin-3(2<i>H</i>)-one
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: O=c1n(nc(OCc2ccccc2)cc1)Cc1ccccc1
• Title of publication: 2-Benzyl-6-benzyloxypyridazin-3(2<i>H</i>)-one
• Authors of publication: Ju, Zhi-Yu; Jiang, Wan-Xiang; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1042
• a: 32.741 ± 0.004 Å
• b: 10.9198 ± 0.0014 Å
• c: 8.1228 ± 0.001 Å
• α: 90°
• β: 95.92 ± 0.02°
• γ: 90°
• Cell volume: 2888.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes