Information card for entry 2228845

Structure parameters

• Chemical name: 3-{[5-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}- 1,2-benzoxazole
• Formula: C18 H11 Br N4 O S
• Calculated formula: C18 H11 Br N4 O S
• SMILES: c1cc(ccc1c1cn2c(n1)sc(Cc1c3c(cccc3)on1)n2)Br
• Title of publication: 3-{[5-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole
• Authors of publication: Banu, Afshan; Ziaulla, Mohamed; 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: 1
• Pages of publication: o154
• a: 38.985 ± 0.017 Å
• b: 5.764 ± 0.003 Å
• c: 14.925 ± 0.006 Å
• α: 90°
• β: 109.191 ± 0.013°
• γ: 90°
• Cell volume: 3167 ± 3 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes