Information card for entry 2014960

Structure parameters

• Chemical name: 4-amino-N-(5-methylisoxazol-3-yl)-N-[(4-oxo-2-phenyl-4H-1-benzopyran-6- yl)methyl]benzensulfonamide
• Formula: C26 H21 N3 O5 S
• Calculated formula: C26 H21 N3 O5 S
• SMILES: c1(cc(=O)c2cc(ccc2o1)CN(c1cc(C)on1)S(=O)(=O)c1ccc(cc1)N)c1ccccc1
• Title of publication: Antibacterial 4-amino-<i>N</i>-(5-methylisoxazol-3-yl)-<i>N</i>-[(4-oxo-2-phenyl-4<i>H</i>-1-benzopyran-6-yl)methyl]benzenesulfonamide
• Authors of publication: Özbey, Süheyla; Akbaş, Arzu; Ayhan-Kilcigil, Gülgün; Ertan, Rahmiye
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o559 - o561
• a: 8.824 ± 0.002 Å
• b: 23.183 ± 0.004 Å
• c: 11.305 ± 0.003 Å
• α: 90°
• β: 96.185 ± 0.002°
• γ: 90°
• Cell volume: 2299.2 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes