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Information card for entry 2240085
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| Coordinates | 2240085.cif |
|---|---|
| Structure factors | 2240085.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-Hydroxy-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide |
|---|---|
| Formula | C10 H9 N3 O3 S |
| Calculated formula | C10 H9 N3 O3 S |
| SMILES | c1(c(cccc1)O)C(=O)N/N=C1\SCC(=O)N1 |
| Title of publication | Crystal structure of (<i>Z</i>)-2-hydroxy-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide |
| Authors of publication | Zhang, Ya; Li, Peijuan; Fan, Xin; Jin, Longfei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1167 |
| a | 18.788 ± 0.002 Å |
| b | 8.9334 ± 0.001 Å |
| c | 12.7969 ± 0.0014 Å |
| α | 90° |
| β | 92.667 ± 0.002° |
| γ | 90° |
| Cell volume | 2145.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240085.cif 2240085.hkl |
| 181320 | 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 2/24/00. |
2240085.cif 2240085.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. |
2240085.cif 2240085.hkl |
| 125552 | 2014-10-19 | cif/ hkl/ Adding structures of 2240085 via cif-deposit CGI script. |
2240085.cif 2240085.hkl |
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