Information card for entry 7217740

Structure parameters

• Chemical name: 2-(4-methoxybenzoyl)-3-(4-nitrophenyl)spiro[cyclopropane-1,3'-indolin]-2'-one
• Formula: C24 H18 N2 O5
• Calculated formula: C24 H18 N2 O5
• SMILES: O=C(c1ccc(OC)cc1)[C@H]1[C@@]2(c3c(NC2=O)cccc3)[C@@H]1c1ccc(N(=O)=O)cc1.O=C(c1ccc(OC)cc1)[C@@H]1[C@]2(c3c(NC2=O)cccc3)[C@H]1c1ccc(N(=O)=O)cc1
• Title of publication: Diastereoselective synthesis of spiro[cyclopropane-1,3’-indolin]-2’-ones through metal-free cyclopropanation using tosylhydrazone salts
• Authors of publication: Kapure, Jeevak; Reddy, Chada Narsimha; Adiyala, Praveen; Nayak, Ranjita; V, Lakshma Nayak; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.2802 ± 0.0008 Å
• b: 11.3015 ± 0.0009 Å
• c: 18.059 ± 0.0014 Å
• α: 90°
• β: 104.234 ± 0.001°
• γ: 90°
• Cell volume: 2033.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No