Information card for entry 2015296

Structure parameters

• Common name: 10,11-dihydrocarbamazepine
• Chemical name: 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: c12ccccc1CCc1ccccc1N2C(=O)N
• Title of publication: An orthorhombic polymorph of 10,11-dihydrocarbamazepine
• Authors of publication: Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o240 - o242
• a: 9.0592 ± 0.0004 Å
• b: 10.3156 ± 0.0005 Å
• c: 25.0534 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.27 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No