Information card for entry 2232052

Structure parameters

• Chemical name: 3-Benzyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
• Formula: C14 H13 N O2 S
• Calculated formula: C14 H13 N O2 S
• SMILES: O=C1CSC(N1Cc1ccccc1)c1ccco1
• Title of publication: 3-Benzyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2807 - o2808
• a: 13.2901 ± 0.0002 Å
• b: 9.636 ± 0.0001 Å
• c: 9.9152 ± 0.0001 Å
• α: 90°
• β: 102.855 ± 0.001°
• γ: 90°
• Cell volume: 1237.95 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0659
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes