Information card for entry 2227310

Structure parameters

• Chemical name: 5'-Amino-2-oxo-2',3'-dihydrospiro[indoline-3,7'-thieno[3,2-<i>b</i>]pyran]-6'- carbonitrile 1',1'-dioxide
• Formula: C15 H11 N3 O4 S
• Calculated formula: C15 H11 N3 O4 S
• SMILES: S1(=O)(=O)C2=C(OC(=C(C32C(=O)Nc2c3cccc2)C#N)N)CC1
• Title of publication: 5'-Amino-2-oxo-2',3'-dihydrospiro[indoline-3,7'-thieno[3,2-<i>b</i>]pyran]-6'-carbonitrile 1',1'-dioxide
• Authors of publication: Shen, Shi-De; Feng, Xiao-Dong; Yang, Wei-Hua; Yao, Chang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2448
• a: 30.669 ± 0.004 Å
• b: 8.176 ± 0.0014 Å
• c: 12.229 ± 0.002 Å
• α: 90°
• β: 112.611 ± 0.008°
• γ: 90°
• Cell volume: 2830.7 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes