Information card for entry 2237640

Structure parameters

• Chemical name: (<i>E</i>)-[2-(1,3-Dithiolan-2-ylidene)hydrazinylidene](3-fluorophenyl)methyl 3-fluorobenzoate
• Formula: C17 H12 F2 N2 O2 S2
• Calculated formula: C17 H12 F2 N2 O2 S2
• SMILES: S1C(SCC1)=N/N=C(OC(=O)c1cc(F)ccc1)/c1cc(F)ccc1
• Title of publication: (<i>E</i>)-[2-(1,3-Dithiolan-2-ylidene)hydrazinylidene](3-fluorophenyl)methyl 3-fluorobenzoate
• Authors of publication: Yin, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o571
• a: 9.124 ± 0.004 Å
• b: 9.757 ± 0.004 Å
• c: 10.738 ± 0.004 Å
• α: 104.592 ± 0.003°
• β: 110.326 ± 0.005°
• γ: 101.194 ± 0.004°
• Cell volume: 824.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes