Information card for entry 2006201

Structure parameters

• Chemical name: 1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole
• Formula: C15 H11 F N2 S
• Calculated formula: C15 H11 F N2 S
• SMILES: S1C(n2c(C1)nc1c2cccc1)c1cc(F)ccc1
• Title of publication: 1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole
• Authors of publication: Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 764 - 767
• a: 11.249 ± 0.001 Å
• b: 7.421 ± 0.001 Å
• c: 15.867 ± 0.002 Å
• α: 90°
• β: 107.56 ± 0.01°
• γ: 90°
• Cell volume: 1262.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.0977
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No