Information card for entry 7201711

Structure parameters

• Common name: (5H-dibenz(b,f)azepine-5-carboxamide)N,N-dimethyl acetamide solvate
• Chemical name: [5H-dibenz(b,f)azepine-5-carboxamide]N,N-dimethyl acetamide solvate
• Formula: C19 H21 N3 O2
• Calculated formula: C19 H21 N3 O2
• Title of publication: Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification
• Authors of publication: Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 23
• a: 7.5046 ± 0.0007 Å
• b: 19.506 ± 0.002 Å
• c: 11.7808 ± 0.0013 Å
• α: 90°
• β: 96.597 ± 0.008°
• γ: 90°
• Cell volume: 1713.1 ± 0.3 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: 0.1056
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No