Information card for entry 2215298

Structure parameters

• Common name: Dihydrocarbamazepine formamide
• Chemical name: 10,11-dihydro-<i>5H</i>-dibenz[<i>b,f</i>]azepine-5-carboxamide–formamide solvate (1/1)
• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• SMILES: O=C(N1c2ccccc2CCc2ccccc12)N.O=CN
• Title of publication: 10,11-Dihydrocarbamazepine–formamide solvate (1/1)
• Authors of publication: Johnston, Andrea; Florence, Alastair J.; Fernandes, Philippe; Shankland, Norman; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3888 - o3889
• a: 8.469 ± 0.0004 Å
• b: 9.0215 ± 0.0004 Å
• c: 10.3137 ± 0.0004 Å
• α: 74.363 ± 0.003°
• β: 83.63 ± 0.003°
• γ: 70.847 ± 0.003°
• Cell volume: 716.61 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1375
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes