Information card for entry 1563997

Structure parameters

• Formula: C20 H19 N3 O4 S
• Calculated formula: C20 H19 N3 O4 S
• SMILES: c1(cccc[nH]1)=NS(=O)(=O)c1ccc(cc1)/N=C/c1cccc(c1O)OCC
• Title of publication: Spectroscopic investigation, fluorescence quenching, in vitro antibacterial and cytotoxicity assay of Co(II) and Ni(II) complexes containing 4-((3-ethoxy-2-hydroxy benzylidene)amino)-N-(pyridin-2-yl)benzenesulfonamide
• Authors of publication: Gomathi, V.; Selvameena, R.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 480
• Pages of publication: 42 - 46
• a: 8.0754 ± 0.0003 Å
• b: 8.35 ± 0.0003 Å
• c: 15.2691 ± 0.0005 Å
• α: 92.661 ± 0.002°
• β: 99.537 ± 0.002°
• γ: 111.426 ± 0.002°
• Cell volume: 938.75 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No