Information card for entry 2023329

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide
• Formula: C36 H27 Br2 N3 O6 S3
• Calculated formula: C36 H27 Br2 N3 O6 S3
• Title of publication: The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide
• Authors of publication: Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1110 - 1117
• a: 8.2664 ± 0.0004 Å
• b: 34.7886 ± 0.0018 Å
• c: 12.5972 ± 0.0006 Å
• α: 90°
• β: 104.55 ± 0.002°
• γ: 90°
• Cell volume: 3506.5 ± 0.3 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No