Information card for entry 2206026

Structure parameters

• Chemical name: 10-Methoxydibenz[b,f]azepine-5-carboxamide
• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: O(C1=Cc2ccccc2N(c2ccccc12)C(=O)N)C
• Title of publication: 10-Methoxydibenz[<i>b</i>,<i>f</i>]azepine-5-carboxamide
• Authors of publication: Basavegowda Nagaraj; Hemmige S. Yathirajan; Rajenahally S. Narasegowda; Padmarajaiah Nagaraja; Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1760 - o1761
• a: 8.8003 ± 0.0002 Å
• b: 9.2012 ± 0.0002 Å
• c: 9.3735 ± 0.0003 Å
• α: 64.6999 ± 0.0016°
• β: 76.052 ± 0.0015°
• γ: 83.7398 ± 0.0018°
• Cell volume: 665.95 ± 0.03 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: 0.0604
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes