Information card for entry 2011922

Structure parameters

• Chemical name: 7-chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole
• Formula: C15 H9 Cl F2 N2 S
• Calculated formula: C15 H9 Cl F2 N2 S
• Title of publication: 7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole
• Authors of publication: Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 572 - 574
• a: 10.292 ± 0.002 Å
• b: 5.741 ± 0.001 Å
• c: 23.474 ± 0.004 Å
• α: 90°
• β: 95.05 ± 0.01°
• γ: 90°
• Cell volume: 1381.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes