Information card for entry 7224317

Structure parameters

• Formula: C12 H14 N2 O
• Calculated formula: C12 H14 N2 O
• SMILES: O=C1NC2(Nc3c1cccc3)CCCC2
• 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: 10.318 ± 0.0016 Å
• b: 12.0004 ± 0.0019 Å
• c: 16.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2065.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No