Information card for entry 2312089

Structure parameters

• Chemical name: 2-(Piperidine-1-sulfonyl)aniline
• Formula: C11 H16 N2 O2 S
• Calculated formula: C11 H16 N2 O2 S
• SMILES: S(=O)(=O)(N1CCCCC1)c1c(N)cccc1
• Title of publication: N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
• Authors of publication: Kolade, Sherif O.; Izunobi, Josephat U.; 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: 2022
• Journal volume: 78
• Journal issue: Pt 12
• Pages of publication: 730 - 742
• a: 11.1747 ± 0.0004 Å
• b: 10.485 ± 0.0004 Å
• c: 20.1368 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.36 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes