Information card for entry 2227252

Structure parameters

• Chemical name: 3'-Hydroxymethyl-1'-methyl-3'-nitro-4'-(<i>o</i>-tolyl)spiro[indoline-3,2'- pyrrolidin]-2-one
• Formula: C20 H21 N3 O4
• Calculated formula: C20 H21 N3 O4
• SMILES: c1cccc(c1C)[C@H]1CN(C)[C@]2([C@]1(CO)N(=O)=O)C(=O)Nc1c2cccc1.c1cccc(c1C)[C@@H]1CN(C)[C@@]2([C@@]1(CO)N(=O)=O)C(=O)Nc1c2cccc1
• Title of publication: 3'-Hydroxymethyl-1'-methyl-3'-nitro-4'-(<i>o</i>-tolyl)spiro[indoline-3,2'-pyrrolidin]-2-one
• Authors of publication: Gangadharan, Rajeswari; SethuSankar, K.; Bakthadoss, Manickam; Sivakumar, Nagappan; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2935
• a: 10.8757 ± 0.0018 Å
• b: 13.625 ± 0.002 Å
• c: 13.656 ± 0.002 Å
• α: 66.116 ± 0.008°
• β: 83.715 ± 0.008°
• γ: 78.991 ± 0.009°
• Cell volume: 1815.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes