Information card for entry 2001304

Structure parameters

• Formula: C14 H15 Cl N2 O2
• Calculated formula: C14 H15 Cl N2 O2
• Title of publication: <i>N</i>-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide hydrate: an anticonvulsant drug exhibiting solid-state rotational disorder
• Authors of publication: Palmer, R. A.; Puddle, N.; Lisgarten, J. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1777 - 1779
• a: 12.647 ± 0.006 Å
• b: 8.277 ± 0.001 Å
• c: 13.551 ± 0.006 Å
• α: 90°
• β: 95.88 ± 0.03°
• γ: 90°
• Cell volume: 1411 ± 0.9 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0501
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No