Information card for entry 2003295

Structure parameters

• Chemical name: N-Cyano-N'-Isopropyl-N"-((4-(3'-Methylphenylamino)Pyrid-3-yl)Sulfonyl) Guanidine
• Formula: C17 H20 N6 O2 S
• Calculated formula: C17 H20 N6 O2 S
• SMILES: c1(cc[nH+]cc1S(=O)([O-])=NC(NC(C)C)=NC#N)Nc1cc(ccc1)C
• Title of publication: <i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine
• Authors of publication: Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 505 - 507
• a: 11.7356 ± 0.001 Å
• b: 13.5707 ± 0.0014 Å
• c: 12.4426 ± 0.0011 Å
• α: 90°
• β: 110.975 ± 0.008°
• γ: 90°
• Cell volume: 1850.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes