Information card for entry 2201874

Structure parameters

• Chemical name: 2-Bromo-N-[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]-4-methylaniline
• Formula: C22 H18 Br2 N2 O2 S
• Calculated formula: C22 H18 Br2 N2 O2 S
• SMILES: Brc1c2c(n(S(=O)(=O)c3ccccc3)c1CNc1ccc(cc1Br)C)cccc2
• Title of publication: 2-Bromo-<i>N</i>-[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]-4-methylaniline
• Authors of publication: Govind, M.M.; Govindaraj, J.; Rajakannan, V.; Velmurugan, D.; Moon-Jib Kim; Srinivasan, P.C.; Kannadasan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o177 - o179
• a: 12.436 ± 0.003 Å
• b: 12.715 ± 0.003 Å
• c: 16.073 ± 0.003 Å
• α: 70.13 ± 0.03°
• β: 69.23 ± 0.03°
• γ: 66.22 ± 0.03°
• Cell volume: 2116.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1998
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes