Information card for entry 2226776

Structure parameters

• Chemical name: <i>N</i>'-[Bis(benzylsulfanyl)methylidene]-4-methoxybenzohydrazide
• Formula: C23 H22 N2 O2 S2
• Calculated formula: C23 H22 N2 O2 S2
• SMILES: S(C(SCc1ccccc1)=NNC(=O)c1ccc(OC)cc1)Cc1ccccc1
• Title of publication: <i>N</i>'-[Bis(benzylsulfanyl)methylidene]-4-methoxybenzohydrazide
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Kushawaha, S. K.; Bharty, M. K.; Singh, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1899
• a: 9.838 ± 0.002 Å
• b: 9.845 ± 0.002 Å
• c: 11.307 ± 0.002 Å
• α: 70.25 ± 0.03°
• β: 90 ± 0.03°
• γ: 89.37 ± 0.03°
• Cell volume: 1030.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes