Information card for entry 2222434

Structure parameters

• Chemical name: 3-(1,3-Dithiolan-2-ylidene)-1-phenylpyridine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C14 H11 N O2 S2
• Calculated formula: C14 H11 N O2 S2
• SMILES: O=C1C=CN(C(=O)C1=C1SCCS1)c1ccccc1
• Title of publication: 3-(1,3-Dithiolan-2-ylidene)-1-phenylpyridine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Li, Lei-Jiao; Li, Yan; Hao, Xi-Yun; Sun, Xiu-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1602
• a: 5.7708 ± 0.0017 Å
• b: 12.033 ± 0.004 Å
• c: 9.624 ± 0.003 Å
• α: 90°
• β: 101.094 ± 0.003°
• γ: 90°
• Cell volume: 655.8 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes