Information card for entry 2217441

Structure parameters

• Chemical name: 1-Methyl-2-(4-methylphenyl)-4-morpholinopyridazine-3,6(1H,2H)-dione
• Formula: C16 H19 N3 O3
• Calculated formula: C16 H19 N3 O3
• SMILES: N1(N(C(=O)C(=CC1=O)N1CCOCC1)c1ccc(cc1)C)C
• Title of publication: 1-Methyl-2-(4-methylphenyl)-4-morpholinopyridazine-3,6(1<i>H</i>,2<i>H</i>)-dione
• Authors of publication: Gzella, Andrzej; Melzer, Ewa; Kaczmarek, Michał S.; Woźniak, Zenon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o435 - o435
• a: 5.6246 ± 0.0006 Å
• b: 8.8923 ± 0.0006 Å
• c: 15.0842 ± 0.001 Å
• α: 90°
• β: 99.53 ± 0.007°
• γ: 90°
• Cell volume: 744.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes