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Information card for entry 2240567
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| Coordinates | 2240567.cif |
|---|---|
| Structure factors | 2240567.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate |
|---|---|
| Formula | C11 H10 N2 O4 S |
| Calculated formula | C11 H10 N2 O4 S |
| SMILES | S1C(=NC(=O)C1)Nc1cc(c(O)cc1)C(=O)OC |
| Title of publication | Crystal structure of methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdu-Allah, Hajjaj H. M.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o282 - o283 |
| a | 4.7787 ± 0.0001 Å |
| b | 25.4128 ± 0.0007 Å |
| c | 18.9599 ± 0.0005 Å |
| α | 90° |
| β | 90.841 ± 0.001° |
| γ | 90° |
| Cell volume | 2302.25 ± 0.1 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240567.cif 2240567.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240567.cif 2240567.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240567.cif 2240567.hkl |
| 135219 | 2015-04-10 | cif/ hkl/ Adding structures of 2240567 via cif-deposit CGI script. |
2240567.cif 2240567.hkl |
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