Information card for entry 2238978

Structure parameters

• Chemical name: 2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole
• Formula: C26 H18 Cl2 N2 O5 S
• Calculated formula: C26 H18 Cl2 N2 O5 S
• SMILES: c12ccccc1c1c(c(c(cc1n2S(=O)(=O)c1ccccc1)c1cc(c(cc1N(=O)=O)Cl)Cl)C)OC
• Title of publication: 2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole
• Authors of publication: Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o212 - o213
• a: 18.6364 ± 0.0007 Å
• b: 12.1665 ± 0.0004 Å
• c: 21.1272 ± 0.0007 Å
• α: 90°
• β: 91.461 ± 0.002°
• γ: 90°
• Cell volume: 4788.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes