Information card for entry 1546698

Structure parameters

• Chemical name: <i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide
• Formula: C11 H14 N2 O2 S2
• Calculated formula: C11 H14 N2 O2 S2
• SMILES: S(/C(=N/NC(=O)c1c(OC)cccc1)SC)C
• Title of publication: <i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide
• Authors of publication: Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 4
• Pages of publication: x170489
• a: 7.7829 ± 0.0003 Å
• b: 7.4284 ± 0.0003 Å
• c: 21.9087 ± 0.0007 Å
• α: 90°
• β: 94.399 ± 0.003°
• γ: 90°
• Cell volume: 1262.91 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes