Information card for entry 2244215

Structure parameters

• Chemical name: 12-(Benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole
• Formula: C25 H16 N2 O2 S
• Calculated formula: C25 H16 N2 O2 S
• SMILES: c12ccccc1c1cc3c(cc1n2S(=O)(=O)c1ccccc1)c1ccccc1nc3
• 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: 10.142 ± 0.001 Å
• b: 12.097 ± 0.001 Å
• c: 16.2218 ± 0.0015 Å
• α: 90°
• β: 104.846 ± 0.004°
• γ: 90°
• Cell volume: 1923.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes