Information card for entry 7241424

Structure parameters

• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: O=C(N/N=C/c1c(O)c(O)ccc1)c1ccncc1.OC
• 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: 8.4964 ± 0.0004 Å
• b: 14.0972 ± 0.0006 Å
• c: 11.1992 ± 0.0005 Å
• α: 90°
• β: 95.924 ± 0.004°
• γ: 90°
• Cell volume: 1334.23 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0477
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No