Information card for entry 2241332

Structure parameters

• Chemical name: <i>N</i>'-[Bis(ethylsulfanyl)methylidene]-2-hydroxy-4-methoxybenzohydrazide
• Formula: C13 H18 N2 O3 S2
• Calculated formula: C13 H18 N2 O3 S2
• SMILES: S(C(=NNC(=O)c1c(O)cc(OC)cc1)SCC)CC
• Title of publication: Crystal structure of <i>N</i>'-[bis(ethylsulfanyl)methylidene]-2-hydroxy-4-methoxybenzohydrazide
• Authors of publication: Nath, Paras; Bharty, Manoj K.; Chaurasia, Rahul; Kumari, Sanyucta; Gupta, Sushil K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o967 - o968
• a: 8.479 ± 0.002 Å
• b: 12.894 ± 0.003 Å
• c: 13.843 ± 0.003 Å
• α: 90°
• β: 104.156 ± 0.01°
• γ: 90°
• Cell volume: 1467.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes