Information card for entry 2010768

Structure parameters

• Chemical name: 5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one
• Formula: C10 H9 N3 O
• Calculated formula: C10 H9 N3 O
• SMILES: O=c1[nH]nc(c(N)c1)c1ccccc1
• Title of publication: 5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one
• Authors of publication: Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 345 - 346
• a: 8.752 ± 0.002 Å
• b: 10.525 ± 0.005 Å
• c: 20.619 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes