Information card for entry 2237327

Structure parameters

• Chemical name: 2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid
• Formula: C19 H17 N O4 S
• Calculated formula: C19 H17 N O4 S
• SMILES: S(=O)(=O)(NC(Cc1ccccc1)C(=O)O)c1cccc2c1cccc2
• Title of publication: 2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid
• Authors of publication: Mubashar-ur-Rehman, Hafiz; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Khan, Islam Ullah; Bilal, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o194
• a: 8.0694 ± 0.0002 Å
• b: 15.2168 ± 0.0004 Å
• c: 14.0996 ± 0.0003 Å
• α: 90°
• β: 92.505 ± 0.002°
• γ: 90°
• Cell volume: 1729.64 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0529
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes