Information card for entry 2217531

Structure parameters

• Chemical name: 1-Benzhydryl-4-(4-chlorophenylsulfonyl)piperazine
• Formula: C23 H23 Cl N2 O2 S
• Calculated formula: C23 H23 Cl N2 O2 S
• SMILES: Clc1ccc(S(=O)(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
• Title of publication: 1-Benzhydryl-4-(4-chlorophenylsulfonyl)piperazine
• Authors of publication: Girish, H. R.; Naveen, S.; Vinaya, K.; Sridhar, M. A.; Shashidhara Prasad, J.; Rangappa, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o358 - o358
• a: 9.392 ± 0.007 Å
• b: 13.114 ± 0.01 Å
• c: 19.225 ± 0.011 Å
• α: 90°
• β: 113.645 ± 0.003°
• γ: 90°
• Cell volume: 2169 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes