Information card for entry 2216857

Structure parameters

• Chemical name: N'-[Bis(benzylsulfanyl)methylene]-2-furohydrazide
• Formula: C20 H18 N2 O2 S2
• Calculated formula: C20 H18 N2 O2 S2
• SMILES: S(C(SCc1ccccc1)=NNC(=O)c1occc1)Cc1ccccc1
• Title of publication: <i>N</i>'-[Bis(benzylsulfanyl)methylene]-2-furohydrazide
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Kushawaha, K. S.,; Bharty, M. K.; Singh, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4590 - o4591
• a: 9.2058 ± 0.0014 Å
• b: 9.2663 ± 0.0014 Å
• c: 11.3877 ± 0.0017 Å
• α: 109.983 ± 0.002°
• β: 94.781 ± 0.002°
• γ: 90.201 ± 0.003°
• Cell volume: 909.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0369
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes