Information card for entry 7241430

Structure parameters

• Formula: C21 H17 N3 O5
• Calculated formula: C21 H17 N3 O5
• SMILES: Oc1c(O)cccc1/C=N/NC(=O)c1ccc(/N=C/c2c(O)c(O)ccc2)cc1
• Title of publication: Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach
• Authors of publication: Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 63
• Pages of publication: 38566 - 38577
• a: 39.4655 ± 0.0016 Å
• b: 5.4865 ± 0.0003 Å
• c: 16.4148 ± 0.0007 Å
• α: 90°
• β: 95.157 ± 0.004°
• γ: 90°
• Cell volume: 3539.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No