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CIF Information Card
Information card for 2015389
2015388 << 2015389 >> 2015390Preview
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Coordinates |
2015389.cif |
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Structure factors |
2015389.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | 7-trifluoromethylisatin |
| Chemical name | 7-trifluoromethyl-1H-indole-2,3-dione |
| Formula | - C9 H4 F3 N O2 - |
| Calculated formula | - C9 H4 F3 N O2 - |
| Title of publication | Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin |
| Authors of publication | Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o321 - o323 |
| a | 5.1704 ± 0.0002 Å |
| b | 15.5609 ± 0.0011 Å |
| c | 10.578 ± 0.0007 Å |
| α | 90° |
| β | 102.713 ± 0.004° |
| γ | 90° |
| Cell volume | 830.2 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0637 |
| Residual factor for observed reflections | 0.0409 |
| Weighted residual factors for the observed reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for observed reflections | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |