Information card for entry 2240368

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-{[(1<i>R</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>E</i>)-<i>N</i>'-{[(1<i>R</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: 2
• Pages of publication: o99 - o100
• a: 6.6198 ± 0.0008 Å
• b: 16.8318 ± 0.0018 Å
• c: 7.9506 ± 0.0009 Å
• α: 90°
• β: 97.141 ± 0.011°
• γ: 90°
• Cell volume: 879.01 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes