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Information card for entry 2107506
Preview
Coordinates | 2107506.cif |
---|---|
Structure factors | 2107506.hkl |
Original paper (by DOI) | HTML |
Chemical name | 6'-amino-5-fluoro-2-oxo-3'-propyl-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2107506.html
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Users of the data should acknowledge the original authors of the
structural data.