Information card for entry 7203597

Structure parameters

• Common name: 5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)
• Chemical name: 5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)
• Formula: C15 H13 N2 O
• Calculated formula: C15 H13 N2 O
• Title of publication: Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration
• Authors of publication: Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 746
• a: 9.088 ± 0.002 Å
• b: 10.425 ± 0.004 Å
• c: 25.005 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2369 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No