Information card for entry 2017282

Structure parameters

• Formula: C17 H16 Cl N O
• Calculated formula: C17 H16 Cl N O
• SMILES: Cc1ccc2c(c1)C[C@H]1ON2[C@@H](C1)c1ccccc1Cl.Cc1ccc2c(c1)C[C@@H]1ON2[C@H](C1)c1ccccc1Cl
• Title of publication: Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions
• Authors of publication: Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o465 - o469
• a: 8.715 ± 0.0009 Å
• b: 10.406 ± 0.002 Å
• c: 15.312 ± 0.004 Å
• α: 99.547 ± 0.019°
• β: 90.621 ± 0.014°
• γ: 96.514 ± 0.013°
• Cell volume: 1359.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.2829
• Weighted residual factors for all reflections included in the refinement: 0.3083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No