Information card for entry 2225453

Structure parameters

• Chemical name: 2-Hydroxy-10-phenacylpyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione
• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: O=C1N2C[C@H](O)C[C@H]2C(=O)N(c2ccccc12)CC(=O)c1ccccc1
• Title of publication: 2-Hydroxy-10-phenacylpyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione
• Authors of publication: Ourahou, S.; Chammache, M.; Zouihri, H.; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o732
• a: 8.8337 ± 0.0002 Å
• b: 9.9476 ± 0.0002 Å
• c: 18.9295 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.41 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes