Information card for entry 2238776

Structure parameters

• Chemical name: 6-(4-Chlorophenyl)-3-methylimidazo[2,1-<i>b</i>]thiazole
• Formula: C12 H9 Cl N2 S
• Calculated formula: C12 H9 Cl N2 S
• SMILES: Clc1ccc(cc1)c1cn2c(n1)scc2C
• Title of publication: 6-(4-Chlorophenyl)-3-methylimidazo[2,1-<i>b</i>]thiazole
• Authors of publication: Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1701
• a: 7.0624 ± 0.0005 Å
• b: 7.7132 ± 0.0005 Å
• c: 10.346 ± 0.0007 Å
• α: 93.353 ± 0.001°
• β: 90.107 ± 0.001°
• γ: 98.832 ± 0.001°
• Cell volume: 555.92 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No