Information card for entry 2213265

Structure parameters

• Chemical name: 4-Methyl-2-phenyl-1-tosylpiperazine
• Formula: C18 H22 N2 O2 S
• Calculated formula: C18 H22 N2 O2 S
• SMILES: S(=O)(=O)(N1[C@@H](CN(CC1)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: 4-Methyl-2-phenyl-1-tosylpiperazine
• Authors of publication: Yue Meng; Weixiao Hu; Ke Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2630 - o2630
• a: 10.2066 ± 0.0011 Å
• b: 10.6427 ± 0.0011 Å
• c: 15.587 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1693.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes