Information card for entry 2202092

Structure parameters

• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: C1(=NNC(=O)CC1)c1ccccc1
• Title of publication: 6-Phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one
• Authors of publication: Abourichaa, Said; Benchat, Noureddine; Anaflous, Abderahlmane; Melhaoui, Amina; Ben-Hadda, Taibi; Oussaid, Boualem; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o802 - o803
• a: 5.6712 ± 0.001 Å
• b: 8.1749 ± 0.0014 Å
• c: 10.1055 ± 0.0017 Å
• α: 104.74 ± 0.014°
• β: 104.392 ± 0.013°
• γ: 98.097 ± 0.014°
• Cell volume: 428.33 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes