Information card for entry 2204451

Structure parameters

• Chemical name: 3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2, 2'-pyrrolidine]-1,3-dione
• Formula: C19 H15 Cl N2 O4
• Calculated formula: C19 H15 Cl N2 O4
• SMILES: Clc1c([C@@H]2C3(N(C[C@H]2N(=O)=O)C)C(=O)c2ccccc2C3=O)cccc1.Clc1c([C@H]2C3(N(C[C@@H]2N(=O)=O)C)C(=O)c2ccccc2C3=O)cccc1
• Title of publication: 3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2,2'-pyrrolidine]-1,3-dione
• Authors of publication: S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Narasinga Rao; M. Poornachandran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2157 - o2159
• a: 13.0966 ± 0.0012 Å
• b: 8.6225 ± 0.0008 Å
• c: 15.7306 ± 0.0014 Å
• α: 90°
• β: 100.045 ± 0.001°
• γ: 90°
• Cell volume: 1749.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes