Information card for entry 2225455

Structure parameters

• Chemical name: Ethyl 2-hydroxy-5,11-dioxopyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-10-acetate
• Formula: C16 H18 N2 O5
• Calculated formula: C16 H18 N2 O5
• SMILES: O=C1N2C[C@H](O)C[C@H]2C(=O)N(c2ccccc12)CC(=O)OCC
• Title of publication: Ethyl 2-hydroxy-5,11-dioxopyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-10-acetate
• 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: o733
• a: 8.5503 ± 0.0002 Å
• b: 9.658 ± 0.0002 Å
• c: 18.2734 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1509 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes