Information card for entry 2006528

Structure parameters

• Chemical name: 1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole
• Formula: C15 H10 Cl F N2 S
• Calculated formula: C15 H10 Cl F N2 S
• SMILES: S1C(n2c(C1)nc1c2cccc1)c1c(Cl)cccc1F
• Title of publication: 1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives
• Authors of publication: Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1337 - 1341
• a: 22.093 ± 0.005 Å
• b: 7.878 ± 0.001 Å
• c: 31.473 ± 0.005 Å
• α: 90°
• β: 100.28 ± 0.03°
• γ: 90°
• Cell volume: 5389.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections: 0.2136
• Weighted residual factors for significantly intense reflections: 0.1892
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No