Information card for entry 2219608

Structure parameters

• Chemical name: 5-(2-Bromophenyl)-1,3,4-thiadiazol-2-amine
• Formula: C8 H6 Br N3 S
• Calculated formula: C8 H6 Br N3 S
• SMILES: Brc1ccccc1c1sc(nn1)N
• Title of publication: 5-(2-Bromophenyl)-1,3,4-thiadiazol-2-amine
• Authors of publication: Yin, Li-He; Wan, Rong; Wang, Yao; Han, Feng; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1884
• a: 14.869 ± 0.003 Å
• b: 8.025 ± 0.0016 Å
• c: 7.948 ± 0.0016 Å
• α: 90°
• β: 97.43 ± 0.03°
• γ: 90°
• Cell volume: 940.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes