Information card for entry 7232876

Structure parameters

• Chemical name: 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Formula: C26 H21 Cl N2 O7 S
• Calculated formula: C26 H21 Cl N2 O7 S
• Title of publication: Structural investigation and compression of a co-crystal of indomethacin and saccharin
• Authors of publication: Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 4465
• a: 7.1314 ± 0.0002 Å
• b: 10.4809 ± 0.0002 Å
• c: 16.7109 ± 0.0004 Å
• α: 80.5779 ± 0.0012°
• β: 86.4941 ± 0.0012°
• γ: 79.2821 ± 0.0012°
• Cell volume: 1210.08 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0927
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No