Information card for entry 2238989

Structure parameters

• Chemical name: 2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
• Formula: C26 H17 Cl N2 O6 S
• Calculated formula: C26 H17 Cl N2 O6 S
• SMILES: c12ccccc1c1c(c(c(cc1n2S(=O)(=O)c1ccccc1)c1ccc(cc1N(=O)=O)Cl)C=O)OC
• Title of publication: 2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
• 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: o230 - o231
• a: 8.1937 ± 0.0005 Å
• b: 11.6112 ± 0.0008 Å
• c: 12.4346 ± 0.0009 Å
• α: 93.886 ± 0.002°
• β: 93.952 ± 0.003°
• γ: 97.772 ± 0.002°
• Cell volume: 1165.8 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes