Information card for entry 2212320

Structure parameters

• Common name: Dihydrocarbamazepine Form III
• Chemical name: 10,11-Dihydrocarbamazepine
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O=C(N1c2ccccc2CCc2c1cccc2)N
• Title of publication: 10,11-Dihydrocarbamazepine (form III)
• Authors of publication: Leech, Charlotte K.; Florence, Alastair J.; Shankland, Kenneth; Shankland, Norman; Johnston, Andrea
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o675 - o677
• a: 5.4233 ± 0.0012 Å
• b: 9.2 ± 0.005 Å
• c: 24.189 ± 0.006 Å
• α: 87.59 ± 0.03°
• β: 84.23 ± 0.02°
• γ: 88.93 ± 0.03°
• Cell volume: 1199.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes