Information card for entry 7248284

Structure parameters

• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: O=c1[nH]c(nc2c1cccc2)c1ccc(OC)cc1
• Title of publication: Biomass derived Cu2O nanoparticles for N-atom insertion reactions: a base-free synthesis of quinazolinones with a green approach
• Authors of publication: R., Thrilokraj; Małecki, Jan Grzegorz; Budagumpi, Srinivasa; Kshirsagar, Umesh A.; Dateer, Ramesh B.
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 4723 - 4732
• a: 10.476 ± 0.0008 Å
• b: 5.0246 ± 0.0005 Å
• c: 22.8902 ± 0.0016 Å
• α: 90°
• β: 97.761 ± 0.007°
• γ: 90°
• Cell volume: 1193.85 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No