Information card for entry 2244214

Structure parameters

• Chemical name: Ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate
• Formula: C28 H21 F N2 O7 S
• Calculated formula: C28 H21 F N2 O7 S
• SMILES: c12ccc(cc1c1cc(c(cc1n2S(=O)(=O)c1ccccc1)c1c(cc(cc1)F)N(=O)=O)C(=O)OCC)OC
• Title of publication: Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole
• Authors of publication: Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 12
• a: 8.1589 ± 0.0009 Å
• b: 12.2053 ± 0.0013 Å
• c: 12.9129 ± 0.0013 Å
• α: 101.569 ± 0.004°
• β: 93.086 ± 0.004°
• γ: 92.481 ± 0.004°
• Cell volume: 1256 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes