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Information card for entry 2239835
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| Coordinates | 2239835.cif |
|---|---|
| Structure factors | 2239835.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate |
|---|---|
| Formula | C14 H14 N2 O4 |
| Calculated formula | C14 H14 N2 O4 |
| SMILES | c1cc(ccc1C(=O)N/N=C/c1cc(ccc1)O)O.O |
| Title of publication | Crystal structure of (<i>E</i>)-4-hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate |
| Authors of publication | Harrison, William T. A.; Low, John Nicolson; Wardell, James L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o891 - o892 |
| a | 7.1826 ± 0.0005 Å |
| b | 9.2043 ± 0.0006 Å |
| c | 10.7568 ± 0.0007 Å |
| α | 91.847 ± 0.007° |
| β | 102.433 ± 0.007° |
| γ | 110.191 ± 0.008° |
| Cell volume | 647.37 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239835.cif 2239835.hkl |
| 181317 | 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 2/23/98. |
2239835.cif 2239835.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. |
2239835.cif 2239835.hkl |
| 121817 | 2014-08-10 | cif/ hkl/ Adding structures of 2239835 via cif-deposit CGI script. |
2239835.cif 2239835.hkl |
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Users of the data should acknowledge the original authors of the
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