Information card for entry 2107506

Structure parameters

• Chemical name: 6'-amino-5-fluoro-2-oxo-3'-propyl-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
• Formula: C19 H20 F N5 O3 S
• Calculated formula: C19 H20 F N5 O3 S
• SMILES: Fc1cc2C3(C(=O)Nc2cc1)C(=C(Oc1c3c([nH]n1)CCC)N)C#N.S(=O)(C)C
• Title of publication: One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors
• Authors of publication: Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 335 - 343
• a: 9.139 ± 0.005 Å
• b: 9.877 ± 0.005 Å
• c: 12.166 ± 0.005 Å
• α: 91.214 ± 0.005°
• β: 102.681 ± 0.005°
• γ: 95.862 ± 0.005°
• Cell volume: 1064.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes