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Information card for entry 2240135
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| Coordinates | 2240135.cif |
|---|---|
| Structure factors | 2240135.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-Hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate |
|---|---|
| Formula | C11 H17 N3 O6 S |
| Calculated formula | C11 H17 N3 O6 S |
| SMILES | S1/C(=N\NC(=O)c2c(O)cc(cc2)C)NC(=O)C1.O.O.O |
| Title of publication | Crystal structure of (<i>Z</i>)-2-hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate |
| Authors of publication | Li, Peijuan; Kang, Zizhen; Fan, Xin; Jin, Longfei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1199 |
| a | 7.3739 ± 0.0012 Å |
| b | 8.511 ± 0.0013 Å |
| c | 12.493 ± 0.002 Å |
| α | 103.047 ± 0.002° |
| β | 101.385 ± 0.002° |
| γ | 92.532 ± 0.002° |
| Cell volume | 745.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240135.cif 2240135.hkl |
| 181321 | 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 2/24/01. |
2240135.cif 2240135.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. |
2240135.cif 2240135.hkl |
| 125969 | 2014-10-30 | cif/ hkl/ Adding structures of 2240135 via cif-deposit CGI script. |
2240135.cif 2240135.hkl |
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Users of the data should acknowledge the original authors of the
structural data.