Information card for entry 2009190

Structure parameters

• Common name: N-phenyl-5-benzylidene-rhodanine
• Chemical name: 3-phenyl-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
• Formula: C16 H11 N O S2
• Calculated formula: C16 H11 N O S2
• SMILES: S1C(C(=O)N(C1=S)c1ccccc1)=Cc1ccccc1
• Title of publication: A rhodanine derivative and its cycloadduct with diphenyl nitrile imine
• Authors of publication: Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1877 - 1881
• a: 21.097 ± 0.005 Å
• b: 5.356 ± 0.007 Å
• c: 26.09 ± 0.004 Å
• α: 90°
• β: 107.173 ± 0.013°
• γ: 90°
• Cell volume: 2817 ± 4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes