Information card for entry 7055298

Structure parameters

• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: Oc1c(c2ccccc2cc1)/C=N/NC(=O)c1ccccc1
• Title of publication: Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies
• Authors of publication: Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2401
• a: 6.9512 ± 0.0004 Å
• b: 29.5028 ± 0.0018 Å
• c: 7.4215 ± 0.0005 Å
• α: 90°
• β: 108.876 ± 0.006°
• γ: 90°
• Cell volume: 1440.15 ± 0.16 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 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: 0.0428
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No