Information card for entry 2229797

Structure parameters

• Chemical name: 6-(4-Bromophenyl)-2-(4-fluorobenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Formula: C17 H11 Br F N3 S
• Calculated formula: C17 H11 Br F N3 S
• SMILES: C(c1nn2c(nc(c2)c2ccc(cc2)Br)s1)c1ccc(cc1)F
• Title of publication: 6-(4-Bromophenyl)-2-(4-fluorobenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Authors of publication: Banu, Afshan; Begum, Noor Shahina; Lamani, Ravi S.; Khazi, I. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o779
• a: 10.505 ± 0.004 Å
• b: 5.617 ± 0.002 Å
• c: 25.877 ± 0.011 Å
• α: 90°
• β: 91.566 ± 0.007°
• γ: 90°
• Cell volume: 1526.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes