Information card for entry 2015241

Structure parameters

• Chemical name: 4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride
• Formula: C13 H13 Cl2 N3 O
• Calculated formula: C13 H13 Cl2 N3 O
• Title of publication: <i>N</i>-Phenyl-<i>N</i>'-pyridylureas: stereochemical basis for anticonvulsant activity
• Authors of publication: Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o190 - o192
• a: 8.022 ± 0.003 Å
• b: 13.193 ± 0.004 Å
• c: 14.893 ± 0.004 Å
• α: 69.06 ± 0.03°
• β: 81.29 ± 0.02°
• γ: 80.6 ± 0.03°
• Cell volume: 1444.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No