Information card for entry 2223550

Structure parameters

• Chemical name: \ 10-Allyl-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,\ 11(10<i>H</i>,11a<i>H</i>)-dione
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• SMILES: C=CCN1C(=O)[C@H]2CCCN2C(=O)c2c1cccc2
• Title of publication: 10-Allyl-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione
• Authors of publication: Benzeid, Hanane; Essassi, El Mokhtar; Saffon, Nathalie; Garrigues, Bernard; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2322
• a: 7.0988 ± 0.0001 Å
• b: 11.7166 ± 0.0002 Å
• c: 15.6592 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.44 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes