Information card for entry 7159048

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• Title of publication: Room temperature ligand-free Cu₂O-H₂O₂ catalyzed tandem oxidative synthesis of quinazoline-4(3<i>H</i>)-one and quinazoline derivatives.
• Authors of publication: Dutta, Nilakshi; Dutta, Bidyutjyoti; Dutta, Apurba; Sarma, Bipul; Sarma, Diganta
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 748 - 753
• a: 4.803 ± 0.003 Å
• b: 15.071 ± 0.011 Å
• c: 17.003 ± 0.012 Å
• α: 94.37 ± 0.02°
• β: 93.8 ± 0.02°
• γ: 97.93 ± 0.02°
• Cell volume: 1211.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.3482
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No