Information card for entry 2216967

Structure parameters

• Chemical name: Bis[4-(2-hydroxyethylamino)phenyl] sulfone
• Formula: C16 H20 N2 O4 S
• Calculated formula: C16 H20 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(NCCO)cc1)c1ccc(NCCO)cc1
• Title of publication: Bis[4-(2-hydroxyethylamino)phenyl] sulfone
• Authors of publication: Chen, Guo-Feng; Ma, Guo-Chun; Hu, Jing; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o174 - o174
• a: 25.643 ± 0.017 Å
• b: 8.118 ± 0.006 Å
• c: 15.34 ± 0.011 Å
• α: 90°
• β: 102.989 ± 0.012°
• γ: 90°
• Cell volume: 3112 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes