Information card for entry 2240135

Structure parameters

• Chemical name: (<i>Z</i>)-2-Hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate
• Formula: C11 H17 N3 O6 S
• Calculated formula: C11 H17 N3 O6 S
• SMILES: S1/C(=N\NC(=O)c2c(O)cc(cc2)C)NC(=O)C1.O.O.O
• Title of publication: Crystal structure of (<i>Z</i>)-2-hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate
• Authors of publication: Li, Peijuan; Kang, Zizhen; Fan, Xin; Jin, Longfei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1199
• a: 7.3739 ± 0.0012 Å
• b: 8.511 ± 0.0013 Å
• c: 12.493 ± 0.002 Å
• α: 103.047 ± 0.002°
• β: 101.385 ± 0.002°
• γ: 92.532 ± 0.002°
• Cell volume: 745.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes