Information card for entry 2311549

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
• Formula: C16 H16 Cl N3 O3 S
• Calculated formula: C16 H16 Cl N3 O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1c(cccc1)Cl
• Title of publication: Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.
• Authors of publication: Purandara, H.; Foro, Sabine; Thimme Gowda, B.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1946 - 1951
• a: 7.867 ± 0.001 Å
• b: 10.34 ± 0.001 Å
• c: 10.997 ± 0.002 Å
• α: 84.96 ± 0.01°
• β: 75.46 ± 0.01°
• γ: 81.13 ± 0.01°
• Cell volume: 854.4 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No