Information card for entry 2239568

Structure parameters

• Chemical name: 2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-<i>b</i>][1,3]benzothiazole
• Formula: C15 H14 N2 S
• Calculated formula: C15 H14 N2 S
• SMILES: c1ccc(cc1)c1cn2c(n1)sc1c2CCCC1
• Title of publication: 2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-<i>b</i>][1,3]benzothiazole
• Authors of publication: Bunev, Alexander S.; Sukhonosova, Elena V.; Purygin, Petr P.; Ostapenko, Gennady I.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o668
• a: 12.523 ± 0.003 Å
• b: 10.699 ± 0.003 Å
• c: 18.93 ± 0.005 Å
• α: 90°
• β: 102.291 ± 0.006°
• γ: 90°
• Cell volume: 2478.2 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1849
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes