Information card for entry 7232879

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: 6.7561 ± 0.0003 Å
• b: 9.5308 ± 0.0011 Å
• c: 16.3385 ± 0.0016 Å
• α: 77.508 ± 0.008°
• β: 84.71 ± 0.006°
• γ: 81.556 ± 0.008°
• Cell volume: 1014.02 ± 0.16 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0847
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No