Information card for entry 7231778

Structure parameters

• Chemical name: 2-(4-fluorophenyl)-<i>N</i>-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5)
• Formula: C23.5 H23 F N2 O2 S
• Calculated formula: C23.5 H23 F N2 O2 S
• Title of publication: Synthesis of novel 1,2,4-thiadiazinane 1,1-dioxides via three component SuFEx type reaction
• Authors of publication: Khumalo, Mzilikazi F.; Akpan, Ekemini D.; Chinthakindi, Praveen K.; Brasil, Edikarlos M.; Rajbongshi, Kamal K.; Makatini, Maya M.; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia; Arvidsson, Per I.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 65
• Pages of publication: 37503
• a: 27.2594 ± 0.0019 Å
• b: 5.7351 ± 0.0004 Å
• c: 26.1139 ± 0.0018 Å
• α: 90°
• β: 102.009 ± 0.002°
• γ: 90°
• Cell volume: 3993.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No