Information card for entry 7228563

Structure parameters

• Formula: C22 H19 N5 O5
• Calculated formula: C22 H19 N5 O5
• SMILES: O.OC1(C(=O)N(c2c1cccc2)Cc1cn(nn1)c1ccccc1)C1=CC(=O)N(C1=O)C
• Title of publication: Solvent-free implementation of two dissimilar reactions using recyclable CuO nanoparticle under ball-milling conditions: Synthesis of new oxindole-triazole pharmacophores
• Authors of publication: m, vadivelu; S, Sugirdha; Pandurangan, Dheenkumar; Arun, Y.; Karthikeyan, K.; Chandrasekar, Praveen
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 9.7024 ± 0.0003 Å
• b: 9.8685 ± 0.0003 Å
• c: 12.5819 ± 0.0004 Å
• α: 80.421 ± 0.001°
• β: 70.629 ± 0.001°
• γ: 65.931 ± 0.001°
• Cell volume: 1037.01 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No