Information card for entry 2014934

Structure parameters

• Common name: N-Cinnamoylsaccharin
• Chemical name: 2-cinnamoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Formula: C16 H11 N O4 S
• Calculated formula: C16 H11 N O4 S
• SMILES: c1ccccc1/C=C/C(=O)N1C(=O)c2c(cccc2)S1(=O)=O
• Title of publication: <i>N</i>-Cinnamoylsaccharin
• Authors of publication: Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Sarı, Uǧur; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o243 - o245
• a: 13.714 ± 0.003 Å
• b: 10.456 ± 0.004 Å
• c: 20.781 ± 0.003 Å
• α: 90°
• β: 101.365 ± 0.005°
• γ: 90°
• Cell volume: 2921.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes