Information card for entry 2205799

Structure parameters

• Common name: carbamazepine N,N-dimethylformamide solvate
• Chemical name: carbamazepine N,N-dimethylformamide solvate
• Formula: C18 H19 N3 O2
• Calculated formula: C18 H19 N3 O2
• SMILES: O=C(N1c2ccccc2C=Cc2c1cccc2)N.O=CN(C)C
• Title of publication: Carbamazepine <i>N,N</i>-dimethylformamide solvate
• Authors of publication: Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1509 - o1511
• a: 7.7118 ± 0.0004 Å
• b: 9.1503 ± 0.0004 Å
• c: 11.6969 ± 0.0006 Å
• α: 100.192 ± 0.003°
• β: 95.379 ± 0.002°
• γ: 101.908 ± 0.003°
• Cell volume: 787.58 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes