Information card for entry 2023328

Structure parameters

• Chemical name: <i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}-<i>N</i>-(4-bromo-3-methoxyphenyl)benzenesulfonamide
• Formula: C28 H22 Br2 N2 O5 S2
• Calculated formula: C28 H22 Br2 N2 O5 S2
• 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: 9.5718 ± 0.0006 Å
• b: 14.4498 ± 0.0008 Å
• c: 20.0041 ± 0.0012 Å
• α: 90°
• β: 92.874 ± 0.002°
• γ: 90°
• Cell volume: 2763.3 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No