Information card for entry 2243864

Structure parameters

• Chemical name: (<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide
• Formula: C15 H13 Cl2 N3 O3 S
• Calculated formula: C15 H13 Cl2 N3 O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NCC(=O)N/N=C/c1cc(ccc1)Cl
• Title of publication: Crystal structures of three <i>N</i>-acylhydrazone isomers
• Authors of publication: Purandara, H.; Foro, Sabine; Thimme Gowda, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 780 - 784
• a: 9.491 ± 0.001 Å
• b: 9.976 ± 0.001 Å
• c: 10.446 ± 0.001 Å
• α: 67.22 ± 0.01°
• β: 66.8 ± 0.01°
• γ: 86.32 ± 0.01°
• Cell volume: 833.59 ± 0.18 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: 0.0731
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes