Information card for entry 2206340

Structure parameters

• Chemical name: Benzyl N-[1-(furan-2-yl)ethylidene]hydrazinecarbodithioate
• Formula: C14 H14 N2 O S2
• Calculated formula: C14 H14 N2 O S2
• SMILES: S=C(SCc1ccccc1)N/N=C(/c1ccco1)C
• Title of publication: Benzyl <i>N</i>-[1-(furan-2-yl)ethylidene]hydrazinecarbodithioate
• Authors of publication: Khoo, Teng-Jin; Cowley, Andrew R.; Watkin, David J.; Crouse, Karen A.; Tarafder, M. T. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2441 - o2443
• a: 4.7347 ± 0.0001 Å
• b: 32.651 ± 0.0007 Å
• c: 9.3959 ± 0.0002 Å
• α: 90°
• β: 109.031 ± 0.0009°
• γ: 90°
• Cell volume: 1373.15 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes