Information card for entry 2211827

Structure parameters

• Chemical name: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-(4-hydroxyphenyl)acetamide
• Formula: C16 H18 N2 O4 S
• Calculated formula: C16 H18 N2 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(CCNC(=O)Cc2ccc(O)cc2)cc1
• Title of publication: <i>N</i>-{2-[4-(Aminosulfonyl)phenyl]ethyl}-2-(4-hydroxyphenyl)acetamide
• Authors of publication: Rohan A. Davis; Peter C. Healy; Sally-Ann Poulsen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o96 - o97
• a: 15.715 ± 0.003 Å
• b: 10.25 ± 0.002 Å
• c: 9.819 ± 0.003 Å
• α: 90°
• β: 91.862 ± 0.018°
• γ: 90°
• Cell volume: 1580.8 ± 0.6 ų
• Cell temperature: 295 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: 0.0606
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes