Information card for entry 2234055

Structure parameters

• Chemical name: 1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one
• Formula: C15 H17 Br N2 O2
• Calculated formula: C15 H17 Br N2 O2
• SMILES: C(c1ccccc1Br)(N1CCCC1=O)N1CCCC1=O
• Title of publication: 1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one
• Authors of publication: Li, Hong-Qi; Ramachandran, G.; Satheesh, V.; Sathiyanarayanan, K.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o768
• a: 7.9734 ± 0.0003 Å
• b: 11.0788 ± 0.0004 Å
• c: 15.9456 ± 0.0006 Å
• α: 90°
• β: 91.859 ± 0.001°
• γ: 90°
• Cell volume: 1407.82 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes