Information card for entry 2239595

Structure parameters

• Chemical name: 3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole
• Formula: C26 H19 Br N2 O5 S
• Calculated formula: C26 H19 Br N2 O5 S
• SMILES: c12ccccc1c1c(cc(c(c1OC)CBr)c1ccccc1N(=O)=O)n2S(=O)(=O)c1ccccc1
• Title of publication: 3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole
• Authors of publication: Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o707 - o708
• a: 10.3176 ± 0.0004 Å
• b: 14.4431 ± 0.0006 Å
• c: 15.4901 ± 0.0006 Å
• α: 90°
• β: 92.329 ± 0.002°
• γ: 90°
• Cell volume: 2306.4 ± 0.16 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: 0.1004
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes