Information card for entry 2241304

Structure parameters

• Chemical name: (<i>Z</i>)-3-Allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin- 4-one
• Formula: C14 H13 N O S2
• Calculated formula: C14 H13 N O S2
• Title of publication: Crystal structure of (<i>Z</i>)-3-allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: El Ajlaoui, Rahhal; Rakib, El Mostapha; Chigr, Mohammed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o906 - o907
• a: 7.3606 ± 0.0004 Å
• b: 8.8342 ± 0.0006 Å
• c: 11.3134 ± 0.0007 Å
• α: 109.736 ± 0.002°
• β: 95.38 ± 0.002°
• γ: 96.502 ± 0.002°
• Cell volume: 681.1 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes