Information card for entry 2204272

Structure parameters

• Chemical name: 4'-(2-Chlorophenyl)-2,3-dihydro-1'-methyl-3'-nitrospiro[1H-indole-3,2'- pyrrolidin]-2-one
• Formula: C18 H16 Cl N3 O3
• Calculated formula: C18 H16 Cl N3 O3
• SMILES: Clc1c([C@@H]2CN([C@@]3(c4ccccc4NC3=O)[C@H]2N(=O)=O)C)cccc1.Clc1c([C@H]2CN([C@]3(c4ccccc4NC3=O)[C@@H]2N(=O)=O)C)cccc1
• Title of publication: 4'-(2-Chlorophenyl)-2,3-dihydro-1'-methyl-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one
• Authors of publication: N. Sampath; M. N. Ponnuswamy; M. Poornachandran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1862 - o1864
• a: 13.1473 ± 0.0003 Å
• b: 7.8193 ± 0.0012 Å
• c: 17.4268 ± 0.0006 Å
• α: 90°
• β: 102.086 ± 0.002°
• γ: 90°
• Cell volume: 1751.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes