Information card for entry 7157424

Structure parameters

• Common name: benzamide derivative
• Chemical name: 4-(quinolin-2-ylcarbamoyl)phenyl acetate
• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: O(c1ccc(cc1)C(=O)Nc1nc2c(cc1)cccc2)C(=O)C
• Title of publication: Singlet oxygen mediated dual C-C and C-N bond cleavage in visible light.
• Authors of publication: Ritu, ?; Sharma, Charu; Kumar, Sharvan; Jain, Nidhi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2921 - 2928
• a: 9.531 ± 0.0005 Å
• b: 7.0315 ± 0.0004 Å
• c: 21.6758 ± 0.0012 Å
• α: 90°
• β: 93.267 ± 0.002°
• γ: 90°
• Cell volume: 1450.29 ± 0.14 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302.56 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: 0.0538
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No