Information card for entry 2201343

Structure parameters

• Chemical name: 4-Methyl-2-(8-quinolyl)phthalazin-1-one
• Formula: C18 H13 N3 O
• Calculated formula: C18 H13 N3 O
• SMILES: n1cccc2cccc(c12)n1c(=O)c2ccccc2c(n1)C
• Title of publication: 4-Methyl-2-(8-quinolyl)phthalazin-1-one
• Authors of publication: Lynch, Daniel E.; Ian McClenaghan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1051 - o1052
• a: 7.953 ± 0.0004 Å
• b: 8.4914 ± 0.0006 Å
• c: 10.885 ± 0.0007 Å
• α: 77.06 ± 0.006°
• β: 74.114 ± 0.005°
• γ: 86.277 ± 0.003°
• Cell volume: 689.05 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1423
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes