Information card for entry 2238942

Structure parameters

• Chemical name: 6-Chloro-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
• Formula: C11 H10 Cl N3 O2 S
• Calculated formula: C11 H10 Cl N3 O2 S
• SMILES: Clc1ccc(cn1)S(=O)(=O)NCc1ccncc1
• Title of publication: 6-Chloro-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
• Authors of publication: Suchetan, Parameshwar Adimoole; Mohan, Revanasiddappa Nadigar; Vijithkumar; Palakshamurthy, Bandrehalli Siddagangaiah; Sreenivasa, Swamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1765
• a: 5.414 ± 0.0006 Å
• b: 18.172 ± 0.002 Å
• c: 12.9392 ± 0.0015 Å
• α: 90°
• β: 92.388 ± 0.006°
• γ: 90°
• Cell volume: 1271.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No