Information card for entry 7224316

Structure parameters

• Formula: C14 H14 N3 O3
• Calculated formula: C14 H11 N3 O3
• SMILES: N1c2c(cccc2)C(=O)NC1c1ccc(N(=O)=O)cc1
• Title of publication: Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage
• Authors of publication: Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.9074 ± 0.0014 Å
• b: 8.6886 ± 0.0019 Å
• c: 10.502 ± 0.002 Å
• α: 85.367 ± 0.011°
• β: 89.74 ± 0.01°
• γ: 79.832 ± 0.01°
• Cell volume: 618.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1574
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2841
• Weighted residual factors for all reflections included in the refinement: 0.3337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No