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Information card for entry 2206920
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| Coordinates | 2206920.cif |
|---|---|
| Structure factors | 2206920.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methoxycarbonyl succinanilic acid |
|---|---|
| Formula | C12 H13 N O5 |
| Calculated formula | C12 H13 N O5 |
| SMILES | O(C(=O)c1ccccc1NC(=O)CCC(=O)O)C |
| Title of publication | 2-(Methoxycarbonyl)succinanilic acid |
| Authors of publication | Shazia Anjum; M. Iqbal Choudhary; Shamsher Ali; Hoong-Kun Fun; Atta-ur-Rahman |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3520 - o3522 |
| a | 18.301 ± 0.002 Å |
| b | 12.1788 ± 0.0015 Å |
| c | 10.8967 ± 0.0014 Å |
| α | 90° |
| β | 93.001 ± 0.002° |
| γ | 90° |
| Cell volume | 2425.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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