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Information card for entry 2235459
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| Coordinates | 2235459.cif |
|---|---|
| Structure factors | 2235459.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide |
|---|---|
| Formula | C15 H14 N2 O4 |
| Calculated formula | C15 H14 N2 O4 |
| SMILES | COc1ccccc1C(=O)N/N=C/c1ccc(c(c1)O)O |
| Title of publication | <i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide |
| Authors of publication | Shen, Tong; Li, Guoli; Zheng, Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2034 |
| a | 13.796 ± 0.002 Å |
| b | 8.412 ± 0.002 Å |
| c | 24.004 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2785.7 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1545 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181276 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/54. |
2235459.cif 2235459.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235459.cif 2235459.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235459.cif 2235459.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235459.cif 2235459.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235459.cif 2235459.hkl |
| 63928 | 2012-08-10 | cif/ Adding structures of 2235459 via cif-deposit CGI script. |
2235459.cif |
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Users of the data should acknowledge the original authors of the
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