Information card for entry 1558036

Structure parameters

• Common name: 4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one
• Formula: C32 H28 N6 O3
• Calculated formula: C32 N6 O3
• SMILES: O(c1n(nc(c1c1c(=O)n(nc(c1)C)c1ccccc1)C)c1ccccc1)c1c(OC)n(nc1C)c1ccccc1
• Title of publication: Crystal Structure of 4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one
• Authors of publication: Mannila, Erkki; Hennig, Lothar; Rissanen, Kari
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 774 - 777
• a: 13.221 ± 0.002 Å
• b: 13.748 ± 0.002 Å
• c: 9.455 ± 0.001 Å
• α: 87.86 ± 0.01°
• β: 110.54 ± 0.01°
• γ: 116.86 ± 0.01°
• Cell volume: 1420.5 ± 0.4 ų
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No