Information card for entry 2020019

Structure parameters

• Common name: <i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)
• Chemical name: 2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid
• Formula: C17 H22 N2 O4 S
• Calculated formula: C17 H22 N2 O4 S
• Title of publication: <i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?
• Authors of publication: Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 7.9881 ± 0.0012 Å
• b: 8.9052 ± 0.0013 Å
• c: 14.053 ± 0.003 Å
• α: 101.185 ± 0.003°
• β: 90.964 ± 0.003°
• γ: 114.909 ± 0.002°
• Cell volume: 884 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes