Information card for entry 1574236

Structure parameters

• Formula: C22 H18 N4 O2
• Calculated formula: C22 H18 N4 O2
• SMILES: O=C(NOCc1ccccc1)c1c(n2nnc(c2)c2ccccc2)cccc1
• Title of publication: Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study
• Authors of publication: R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2878 - 2887
• a: 8.7311 ± 0.0008 Å
• b: 9.24 ± 0.0007 Å
• c: 12.135 ± 0.0008 Å
• α: 98.305 ± 0.006°
• β: 97.293 ± 0.007°
• γ: 105.502 ± 0.007°
• Cell volume: 919.31 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No