Information card for entry 7211772

Structure parameters

• Common name: 10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide
• Chemical name: 10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: c12ccccc1CCc1ccccc1N2C(=O)N
• Title of publication: A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV)
• Authors of publication: Arlin, Jean-Baptiste; Johnston, Andrea; Miller, Gary J.; Kennedy, Alan R.; Price, Sarah L.; Florence, Alastair J.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 64
• a: 13.207 ± 0.006 Å
• b: 5.347 ± 0.002 Å
• c: 18.891 ± 0.007 Å
• α: 90°
• β: 116.37 ± 0.02°
• γ: 90°
• Cell volume: 1195.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No