Information card for entry 2222234

Structure parameters

• Chemical name: 4-Fluoro-<i>N</i>-[3-(2-fluorophenyl)-4-methyl-2,3-dihydro-2- thienylidene]benzamide
• Formula: C17 H12 F2 N2 O S
• Calculated formula: C17 H12 F2 N2 O S
• SMILES: Fc1ccc(cc1)C(=O)/N=C1\SC=C(N1c1ccccc1F)C
• Title of publication: 4-Fluoro-<i>N</i>-[3-(2-fluorophenyl)-4-methyl-2,3-dihydro-2-thienylidene]benzamide
• Authors of publication: Saeed, Aamer; Shaheen, Uzma; Latif, Muhammad; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1643
• a: 7.0982 ± 0.0014 Å
• b: 11.423 ± 0.002 Å
• c: 18.949 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes