Information card for entry 2221481

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-<i>p</i>-toluenesulfonohydrazide
• Formula: C14 H13 Br N2 O2 S
• Calculated formula: C14 H13 Br N2 O2 S
• SMILES: Brc1ccc(/C=N/NS(=O)(=O)c2ccc(cc2)C)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-<i>p</i>-toluenesulfonohydrazide
• Authors of publication: Kia, Reza; Etemadi, Bijan; Fun, Hoong-Kun; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o821 - o822
• a: 5.9565 ± 0.0003 Å
• b: 9.4005 ± 0.0003 Å
• c: 12.802 ± 0.0006 Å
• α: 97.153 ± 0.002°
• β: 96.35 ± 0.002°
• γ: 92.125 ± 0.001°
• Cell volume: 705.95 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes