Information card for entry 2240722

Structure parameters

• Chemical name: 1-Ethylspiro[imidazolidine-4,1'-indane]-2,5-dione
• Formula: C13 H14 N2 O2
• Calculated formula: C13 H14 N2 O2
• SMILES: O=C1N(C(=O)NC21c1ccccc1CC2)CC
• Title of publication: Crystal structure of 1-ethylspiro[imidazolidine-4,1'-indane]-2,5-dione
• Authors of publication: Hussein, Wahraan Mohammed; Theodore, Cynthia E.; Benaka Prasad, S. B.; Madaiah, M.; Naveen, S.; Lokanath, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o954
• a: 13.7183 ± 0.001 Å
• b: 6.204 ± 0.0005 Å
• c: 15.1944 ± 0.0011 Å
• α: 90°
• β: 112.865 ± 0.003°
• γ: 90°
• Cell volume: 1191.56 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes