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Information card for entry 1520184
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| Coordinates | 1520184.cif |
|---|
| Chemical name | N-(3-iodophenyl)acetamide |
|---|---|
| Formula | C8 H8 I N O |
| Calculated formula | C8 H8 I N O |
| SMILES | c1(cc(ccc1)I)NC(=O)C |
| Title of publication | N-(3-iodophenyl)acetamide |
| Authors of publication | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 1376 |
| a | 4.9076 ± 0.0005 Å |
| b | 9.7504 ± 0.0008 Å |
| c | 18.6116 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 890.58 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137631 (current) | 2015-06-01 | cif/ Adding structures of 1520184 via cif-deposit CGI script. |
1520184.cif |
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