Information card for entry 2206156

Structure parameters

• Chemical name: 3-Benzyloxy-6-fluoropyridazine
• Formula: C11 H9 F N2 O
• Calculated formula: C11 H9 F N2 O
• SMILES: Fc1nnc(OCc2ccccc2)cc1
• Title of publication: 3-Benzyloxy-6-fluoropyridazine
• Authors of publication: Fang-Zhong Hu; Min Zhang; Hai-Bin Song; Xiao-Mao Zou; Hua-Zheng Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2241 - o2242
• a: 29.409 ± 0.004 Å
• b: 5.8286 ± 0.0014 Å
• c: 11.73 ± 0.003 Å
• α: 90°
• β: 101.22 ± 0.008°
• γ: 90°
• Cell volume: 1972.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1669
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes