Information card for entry 7201924

Structure parameters

• Common name: Cytenamide form II
• Chemical name: 5H-Dibenzo[a,d]cycloheptene-5-carboxamide
• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: O=C(N)C1c2ccccc2C=Cc2ccccc12
• Title of publication: Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue
• Authors of publication: Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 811
• a: 5.81 ± 0.0002 Å
• b: 19.6315 ± 0.0005 Å
• c: 21.7087 ± 0.0006 Å
• α: 85.918 ± 0.002°
• β: 86.164 ± 0.002°
• γ: 84.482 ± 0.002°
• Cell volume: 2453.85 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 3.08
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No