Information card for entry 2226510

Structure parameters

• Chemical name: 2-(4-Fluorobenzylidene)-<i>N</i>-(4-methoxybenzylidene)-1,3,4-thiadiazol-2-amine
• Formula: C16 H12 F N3 O S
• Calculated formula: C16 H12 F N3 O S
• SMILES: s1c(/N=C/c2ccc(OC)cc2)nnc1c1ccc(F)cc1
• Title of publication: 2-(4-Fluorobenzylidene)-<i>N</i>-(4-methoxybenzylidene)-1,3,4-thiadiazol-2-amine
• Authors of publication: He, Qiu; An, Kang; Wang, Peng; Yu, Peng; Wan, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1716
• a: 7.458 ± 0.0015 Å
• b: 17.821 ± 0.004 Å
• c: 10.891 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes