Information card for entry 2005535

Structure parameters

• Chemical name: 1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole
• Formula: C11 H11 F N2 S
• Calculated formula: C11 H11 F N2 S
• Title of publication: 1-Fluoromethyl-1-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole
• Authors of publication: Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2531 - 2533
• a: 8.127 ± 0.001 Å
• b: 6.985 ± 0.001 Å
• c: 9.306 ± 0.002 Å
• α: 90°
• β: 97.2 ± 0.01°
• γ: 90°
• Cell volume: 524.11 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.0844
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No