Information card for entry 2013190

Structure parameters

• Chemical name: N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]- 5-methoxyphenyl}acetamide
• Formula: C24 H20 Br2 N2 O4 S
• Calculated formula: C24 H20 Br2 N2 O4 S
• SMILES: Brc1c(n(S(=O)(=O)c2ccccc2)c2c1cccc2)Cc1cc(Br)c(OC)cc1NC(=O)C
• Title of publication: <i>N</i>-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-5-methoxyphenyl}acetamide
• Authors of publication: Ravishankar, T.; Chinnakali, K.; Arumugam, N.; Srinivasan, P. C.; Usman, Anwar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o137 - o140
• a: 10.2647 ± 0.0011 Å
• b: 24.976 ± 0.003 Å
• c: 9.7963 ± 0.0011 Å
• α: 90°
• β: 104.76 ± 0.002°
• γ: 90°
• Cell volume: 2428.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes