Information card for entry 7062274

Structure parameters

• Chemical name: spirooxindole
• Formula: C31 H30 N6 O5 S
• Calculated formula: C31 H30 N6 O5 S
• SMILES: S1[C@]2([C@@]3(N(C[C@H]2c2ccc(OC)cc2)C)c2c(N(C3=O)Cc3nnn(c4ccc(C)cc4)c3)cccc2)C(=O)NC1=O.O.S1[C@@]2([C@]3(N(C[C@@H]2c2ccc(OC)cc2)C)c2c(N(C3=O)Cc3nnn(c4ccc(C)cc4)c3)cccc2)C(=O)NC1=O.O
• Title of publication: Thiazolidine-2,4-dione framework containing spiropyrrolidine-oxindole and 1,2,3-triazole scaffold: synthesis, in vitro α-amylase inhibition and in silico studies
• Authors of publication: Duhan, Meenakshi; Singh, Rahul; Devi, Meena; Sindhu, Jayant; Kumar, Parvin; Kumar, Sudhir; Kataria, Ramesh; Kumar, Ashwani; Lal, Sohan; Singh, Devender
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 5399 - 5412
• a: 10.5926 ± 0.0002 Å
• b: 11.288 ± 0.0002 Å
• c: 13.4778 ± 0.0003 Å
• α: 94.876 ± 0.002°
• β: 91.993 ± 0.002°
• γ: 96.337 ± 0.002°
• Cell volume: 1594.3 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No