Information card for entry 2235838

Structure parameters

• Chemical name: 4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒ methanol (1/0.47/0.53)
• Formula: C17.47 H16.94 F3 N3 O3 S
• Calculated formula: C17.47 H16.94 F3 N3 O3 S
• Title of publication: 4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒methanol (1/0.47/0.53)
• Authors of publication: Ghorab, Mostafa M.; Al-Said, Mansour S.; Al-Mishari, Abdullah A.; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2396
• a: 8.6037 ± 0.0001 Å
• b: 9.3146 ± 0.0002 Å
• c: 11.459 ± 0.0002 Å
• α: 92.463 ± 0.001°
• β: 91.544 ± 0.001°
• γ: 92.969 ± 0.001°
• Cell volume: 915.85 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes