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Information card for entry 2020730
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| Coordinates | 2020730.cif |
|---|---|
| Structure factors | 2020730.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Aminoanilinium 2-(carboxymethylsulfanyl)acetate |
|---|---|
| Formula | C10 H14 N2 O4 S |
| Calculated formula | C10 H14 N2 O4 S |
| Title of publication | Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine |
| Authors of publication | Gomathi, V.; Theivarasu, C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 97 - 103 |
| a | 4.9006 ± 0.0004 Å |
| b | 12.9808 ± 0.001 Å |
| c | 18.9837 ± 0.0015 Å |
| α | 90° |
| β | 92.978 ± 0.008° |
| γ | 90° |
| Cell volume | 1205.99 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193923 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 2020729, 2020730 via cif-deposit CGI script. |
2020730.cif 2020730.hkl |
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Users of the data should acknowledge the original authors of the
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