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CIF Information Card
Information card for 2015388
2015387 << 2015388 >> 2015389Preview
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Coordinates |
2015388.cif |
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Structure factors |
2015388.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | 5-Iodoisatin |
| Chemical name | 5-iodo-1H-indole-2,3-dione |
| Formula | - C8 H4 I N O2 - |
| Calculated formula | - C8 H4 I 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 | 9.3617 ± 0.0006 Å |
| b | 11.093 ± 0.0005 Å |
| c | 7.6482 ± 0.0004 Å |
| α | 90° |
| β | 101.146 ± 0.002° |
| γ | 90° |
| Cell volume | 779.28 ± 0.07 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 | 0.0235 |
| Residual factor for observed reflections | 0.0201 |
| Weighted residual factors for the observed reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for observed reflections | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |