Information card for entry 1565639

Structure parameters

• Formula: C24 H19 N3 Ni O2
• Calculated formula: C24 H19 N3 Ni O2
• SMILES: [Ni]12(Oc3c(C=[N]1N=C(c1ccccc1)O2)c1c(cc3)cccc1)[n]1ccc(C)cc1
• Title of publication: Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles
• Authors of publication: Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119222
• a: 15.137 ± 0.0008 Å
• b: 6.0223 ± 0.0003 Å
• c: 21.6711 ± 0.001 Å
• α: 90°
• β: 95.678 ± 0.002°
• γ: 90°
• Cell volume: 1965.84 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No