Information card for entry 2215804

Structure parameters

• Common name: Pyrrolidine
• Chemical name: 2-(Pyrrolidin-1-ylmethyl)isoindoline-1,3-dione
• Formula: C13 H14 N2 O2
• Calculated formula: C13 H14 N2 O2
• SMILES: O=C1N(C(=O)c2c1cccc2)CN1CCCC1
• Title of publication: 2-(Pyrrolidin-1-ylmethyl)isoindoline-1,3-dione
• Authors of publication: P. Sakthivel; P. S. Joseph; A. Sebastiyan; M. Yosuva Suvaikin; M. Ramesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4388 - o4388
• a: 9.0609 ± 0.0003 Å
• b: 10.0777 ± 0.0003 Å
• c: 13.0192 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1188.82 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes