Information card for entry 7056961

Structure parameters

• Formula: C19 H15 N3 O
• Calculated formula: C19 H15 N3 O
• SMILES: O=C(N/N=C(\c1ncccc1)c1ccccc1)c1ccccc1
• Title of publication: Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide
• Authors of publication: Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 3112
• a: 9.3941 ± 0.0002 Å
• b: 15.6006 ± 0.0004 Å
• c: 11.3901 ± 0.0003 Å
• α: 90°
• β: 110.569 ± 0.003°
• γ: 90°
• Cell volume: 1562.84 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No