Information card for entry 2207334

Structure parameters

• Common name: An analogue of Iminostilbene or Carbamazepine
• Chemical name: 5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine
• Formula: C15 H12 Cl N O
• Calculated formula: C15 H12 Cl N O
• SMILES: c1cccc2N(c3ccccc3CCc12)C(=O)Cl
• Title of publication: 5-Chlorocarbonyl-10,11-dihydro-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine
• Authors of publication: Vijay, T.; Anilkumar, H. G.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3718 - o3720
• a: 16.654 ± 0.003 Å
• b: 10.646 ± 0.002 Å
• c: 7.2599 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes