Information card for entry 2242673

Structure parameters

• Chemical name: (<i>Z</i>)-4-Chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
• Formula: C9 H10 Cl N3 O4 S2
• Calculated formula: C9 H10 Cl N3 O4 S2
• SMILES: Clc1ccc(S(=O)(=O)N/N=C2\SCC(=O)N2)cc1.O
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
• Authors of publication: Pai, Nikhila; Foro, Sabine; Thimme Gowda, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1569 - 1573
• a: 7.6276 ± 0.0006 Å
• b: 11.09 ± 0.001 Å
• c: 17.116 ± 0.002 Å
• α: 96.95 ± 0.01°
• β: 99.49 ± 0.01°
• γ: 106.08 ± 0.01°
• Cell volume: 1350.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0896
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes