Information card for entry 2212548

Structure parameters

• Chemical name: (Z)-2-(Dimethylamino)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
• Formula: C15 H18 N2 O4 S
• Calculated formula: C15 H18 N2 O4 S
• SMILES: S1C(=NC(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1)N(C)C
• Title of publication: (<i>Z</i>)-2-(Dimethylamino)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
• Authors of publication: Low, John N.; Cobo, Justo; Gutiérrez, Alexander; Insuasty, Braulio; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1123 - o1125
• a: 29.259 ± 0.006 Å
• b: 7.641 ± 0.0015 Å
• c: 14.336 ± 0.003 Å
• α: 90°
• β: 110.59 ± 0.03°
• γ: 90°
• Cell volume: 3000.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes