Information card for entry 2233804

Structure parameters

• Common name: 2-Oxime-3-(methylbenzene-1-sulfonohydrazide)butane
• Chemical name: <i>N</i>'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide
• Formula: C11 H15 N3 O3 S
• Calculated formula: C11 H15 N3 O3 S
• SMILES: S(=O)(=O)(N/N=C(/C(=N/O)C)C)c1ccc(cc1)C
• Title of publication: <i>N</i>'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide
• Authors of publication: Bulhosa, Maria C. S.; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o592
• a: 5.574 ± 0.0001 Å
• b: 10.4354 ± 0.0002 Å
• c: 11.3997 ± 0.0002 Å
• α: 83.586 ± 0.001°
• β: 77.453 ± 0.001°
• γ: 87.688 ± 0.001°
• Cell volume: 643.11 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes