Information card for entry 2234898

Structure parameters

• Chemical name: 6-Benzyloxy-2-phenylpyridazin-3(2<i>H</i>)-one
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O=c1n(nc(OCc2ccccc2)cc1)c1ccccc1
• Title of publication: 6-Benzyloxy-2-phenylpyridazin-3(2<i>H</i>)-one
• Authors of publication: Ju, Zhi-Yu; Li, Gong-Chun; Li, Chao; Wang, Jie; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1646
• a: 7.39 ± 0.004 Å
• b: 9.385 ± 0.005 Å
• c: 10.587 ± 0.006 Å
• α: 106.618 ± 0.007°
• β: 97.489 ± 0.006°
• γ: 101.098 ± 0.009°
• Cell volume: 676.9 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes