Information card for entry 7160016

Structure parameters

• Chemical name: '6-benzyl-2-methylpyrazolo[1,5-c]quinazolin-5(6H)-one'
• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 N3 O
• Title of publication: Leveraging <i>in situ N</i>-tosylhydrazones as diazo surrogates for efficient access to pyrazolo-[1,5-<i>c</i>]quinazolinone derivatives.
• Authors of publication: Yan, Jun; Retailleau, Pascal; Tran, Christine; Hamze, Abdallah
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 28
• Pages of publication: 5816 - 5821
• a: 15.8567 ± 0.0006 Å
• b: 9.2722 ± 0.0004 Å
• c: 9.8086 ± 0.0004 Å
• α: 90°
• β: 96.02 ± 0.004°
• γ: 90°
• Cell volume: 1434.17 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No