Information card for entry 2215290

Structure parameters

• Chemical name: [1-(4-Chloro-2-fluorophenylsulfonyl)piperidin-4-yl]diphenylmethanol
• Formula: C24 H23 Cl F N O3 S
• Calculated formula: C24 H23 Cl F N O3 S
• SMILES: Clc1cc(F)c(S(=O)(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
• Title of publication: [1-(4-Chloro-2-fluorophenylsulfonyl)piperidin-4-yl]diphenylmethanol
• Authors of publication: Benakaprasad, S. B.; Naveen, S.; Sridhar, M. A.; Shashidhara Prasad, J.; Rangappa, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3669 - o3669
• a: 10.238 ± 0.007 Å
• b: 11.295 ± 0.004 Å
• c: 21.072 ± 0.012 Å
• α: 90°
• β: 115.481 ± 0.002°
• γ: 90°
• Cell volume: 2200 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes