Information card for entry 2240509

Structure parameters

• Chemical name: 1-Benzylsulfonyl-1,2,3,4-tetrahydroquinoline
• Formula: C16 H17 N O2 S
• Calculated formula: C16 H17 N O2 S
• SMILES: S(=O)(=O)(N1c2ccccc2CCC1)Cc1ccccc1
• Title of publication: Crystal structure of 1-benzylsulfonyl-1,2,3,4-tetrahydroquinoline
• Authors of publication: Jeyaseelan, S.; Sowmya, B. R.; Venkateshappa, G.; Raghavendra Kumar, P.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o249 - o250
• a: 13.569 ± 0.0005 Å
• b: 6.7128 ± 0.0002 Å
• c: 16.8317 ± 0.0006 Å
• α: 90°
• β: 110.243 ± 0.001°
• γ: 90°
• Cell volume: 1438.44 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes