Information card for entry 2240793

Structure parameters

• Chemical name: (<i>E</i>)-3-Allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one
• Formula: C11 H9 N O S3
• Calculated formula: C11 H9 N O S3
• SMILES: c1ccc(/C=C2/C(=O)N(C(=S)S2)CC=C)s1
• Title of publication: Crystal structure of (<i>E</i>)-3-allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one
• Authors of publication: El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o433 - o434
• a: 6.7342 ± 0.0002 Å
• b: 7.3762 ± 0.0002 Å
• c: 13.2917 ± 0.0005 Å
• α: 79.386 ± 0.002°
• β: 80.104 ± 0.002°
• γ: 68.908 ± 0.001°
• Cell volume: 601.44 ± 0.03 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: 0.0677
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1112
• 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: No
• Has Fobs: Yes