Information card for entry 2205195

Structure parameters

• Chemical name: 2-(1-Piperidinyl)-1,3-benzothiazole
• Formula: C12 H14 N2 S
• Calculated formula: C12 H14 N2 S
• SMILES: s1c2c(nc1N1CCCCC1)cccc2
• Title of publication: 2-(1-Piperidinyl)-1,3-benzothiazole
• Authors of publication: Alvarez, Ricardo G.; Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o569 - o570
• a: 15.3509 ± 0.0006 Å
• b: 11.6315 ± 0.0004 Å
• c: 5.9802 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1067.79 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes