Information card for entry 2018625

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-bis(2-bromophenyl)-2,2'-thiodibenzamide
• Formula: C26 H18 Br2 N2 O2 S
• Calculated formula: C26 H18 Br2 N2 O2 S
• SMILES: Brc1c(NC(=O)c2c(Sc3c(cccc3)C(=O)Nc3c(Br)cccc3)cccc2)cccc1
• Title of publication: Three anilides of 2,2'-thiodibenzoic acid
• Authors of publication: Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o387 - o391
• a: 20.6504 ± 0.0003 Å
• b: 15.3378 ± 0.0002 Å
• c: 7.5101 ± 0.0001 Å
• α: 90°
• β: 95.52 ± 0.001°
• γ: 90°
• Cell volume: 2367.66 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes