Information card for entry 2225281

Structure parameters

• Chemical name: <i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]-3,4,5- trihydroxybenzohydrazide dimethyl sulfoxide solvate trihydrate
• Formula: C17 H25 Br N2 O9 S
• Calculated formula: C17 H25 Br N2 O9 S
• SMILES: Brc1ccc(O)c(c1)C(=N\NC(=O)c1cc(O)c(O)c(O)c1)\C.S(=O)(C)C.O.O.O
• Title of publication: <i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]-3,4,5-trihydroxybenzohydrazide dimethyl sulfoxide solvate trihydrate
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Robinson, Ward T.; Abdulla, Mahmood A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o721
• a: 21.569 ± 0.0015 Å
• b: 7.0302 ± 0.0004 Å
• c: 28.4771 ± 0.0018 Å
• α: 90°
• β: 103.061 ± 0.002°
• γ: 90°
• Cell volume: 4206.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes