Information card for entry 2205756

Structure parameters

• Common name: Oxcarbazepine
• Chemical name: 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: c1cccc2N(c3ccccc3C(=O)Cc12)C(=O)N
• Title of publication: Oxcarbazepine: structure and anticonvulsant activity
• Authors of publication: Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1313 - o1315
• a: 5.276 ± 0.002 Å
• b: 9.307 ± 0.004 Å
• c: 24.841 ± 0.007 Å
• α: 90°
• β: 95.64 ± 0.02°
• γ: 90°
• Cell volume: 1213.9 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes