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Information card for entry 7240463
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| Coordinates | 7240463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl 2-tosylamino-6-aminobenzoate |
|---|---|
| Formula | C15 H16 N2 O4 S |
| Calculated formula | C15 H16 N2 O4 S |
| Title of publication | N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives. |
| Authors of publication | Wallis, John D.; Garner, Alun Christopher; Yang, Songjie |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.7212 ± 0.0003 Å |
| b | 35.4733 ± 0.0012 Å |
| c | 26.2238 ± 0.001 Å |
| α | 90° |
| β | 97.36 ± 0.003° |
| γ | 90° |
| Cell volume | 8968.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251828 (current) | 2020-05-07 | cif/ Adding structures of 7240462, 7240463, 7240464, 7240465 via cif-deposit CGI script. |
7240463.cif |
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