Information card for entry 2231752

Structure parameters

• Chemical name: 3-(2-Bromophenyl)thiazolo[3,2-<i>a</i>]benzimidazole
• Formula: C15 H9 Br N2 S
• Calculated formula: C15 H9 Br N2 S
• SMILES: Brc1c(c2csc3n2c2ccccc2n3)cccc1
• Title of publication: 3-(2-Bromophenyl)thiazolo[3,2-<i>a</i>]benzimidazole
• Authors of publication: Wang, Zhi-Ming; Yu, Bin; Cui, Yuan; Zhang, Xiu-Qing; Sun, Xiao-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2540
• a: 11.2459 ± 0.0019 Å
• b: 9.1554 ± 0.0016 Å
• c: 14.2842 ± 0.0018 Å
• α: 90°
• β: 118.159 ± 0.009°
• γ: 90°
• Cell volume: 1296.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes