Information card for entry 2023076

Structure parameters

• Chemical name: 4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol
• Formula: C18 H19 Br N2 O3 S
• Calculated formula: C18 H19 Br N2 O3 S
• SMILES: Brc1ccc(O)c(/C=N/c2c(S(=O)(=O)N3CCCCC3)cccc2)c1
• Title of publication: Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer.
• Authors of publication: Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 129 - 142
• a: 12.407 ± 0.0009 Å
• b: 17.425 ± 0.0014 Å
• c: 17.5276 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3789.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No