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Information card for entry 2239037
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| Coordinates | 2239037.cif |
|---|---|
| Structure factors | 2239037.hkl |
| Original IUCr paper | HTML |
| Common name | 2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol |
|---|---|
| Chemical name | 2,2'-[Hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)]bis(4-methoxyphenol) |
| Formula | C16 H16 N2 O4 |
| Calculated formula | C16 H16 N2 O4 |
| SMILES | COc1ccc(c(c1)/C=N/N=C/c1cc(OC)ccc1O)O |
| Title of publication | 2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol |
| Authors of publication | Taha, Muhammad; Shah, Syed Adnan Ali; Sultan, Sadia; Ismail, Nor Hadiani; Yousuf, Sammer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o131 |
| a | 6.7132 ± 0.0004 Å |
| b | 15.9369 ± 0.001 Å |
| c | 6.8022 ± 0.0004 Å |
| α | 90° |
| β | 91.192 ± 0.002° |
| γ | 90° |
| Cell volume | 727.59 ± 0.08 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239037.cif 2239037.hkl |
| 181890 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239037.cif 2239037.hkl |
| 181309 | 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 2/23/90. |
2239037.cif 2239037.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. |
2239037.cif 2239037.hkl |
| 104878 | 2014-03-11 | cif/ hkl/ Adding structures of 2239037 via cif-deposit CGI script. |
2239037.cif 2239037.hkl |
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Users of the data should acknowledge the original authors of the
structural data.