Information card for entry 7224318

Structure parameters

• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O=C1NC(Nc2c1cccc2)(c1ccccc1)C
• 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: 8.56 ± 0.0003 Å
• b: 8.8072 ± 0.0003 Å
• c: 16.2462 ± 0.0006 Å
• α: 90°
• β: 93.334 ± 0.002°
• γ: 90°
• Cell volume: 1222.72 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No