Information card for entry 2211359

Structure parameters

• Chemical name: 5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-ylamine
• Formula: C8 H6 F N3 S
• Calculated formula: C8 H6 F N3 S
• SMILES: s1c(nnc1N)c1ccc(F)cc1
• Title of publication: 5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-ylamine
• Authors of publication: Wan, Rong; Han, Feng; Wu, Feng; Zhang, Jin-Jun; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5547 - o5548
• a: 8.802 ± 0.0018 Å
• b: 8.961 ± 0.0018 Å
• c: 11.035 ± 0.002 Å
• α: 90°
• β: 97.19 ± 0.03°
• γ: 90°
• Cell volume: 863.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes