Information card for entry 2241279

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-Isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide
• Formula: C17 H24 N2 O3 S
• Calculated formula: C17 H24 N2 O3 S
• SMILES: S(=O)(=O)(N/N=C/[C@]1(C(=O)[C@@H](C(C)C)CC1)C)c1ccc(C)cc1
• Title of publication: Crystal structure of <i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide
• Authors of publication: Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o904 - o905
• a: 9.4918 ± 0.0007 Å
• b: 13.2348 ± 0.0012 Å
• c: 14.6691 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1842.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0927
• 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