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Information card for entry 2238512
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| Coordinates | 2238512.cif |
|---|---|
| Structure factors | 2238512.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine |
|---|---|
| Chemical name | 2-{[2-(2-Hydroxy-5-methylbenzylidene)hydrazin-1-ylidene]methyl}-4-methylphenol |
| Formula | C16 H16 N2 O2 |
| Calculated formula | C16 H16 N2 O2 |
| SMILES | Oc1ccc(cc1/C=N/N=C/c1cc(C)ccc1O)C |
| Title of publication | 1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine |
| Authors of publication | Saravanan, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1394 - o1395 |
| a | 6.0108 ± 0.0005 Å |
| b | 7.3394 ± 0.0005 Å |
| c | 31.674 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1397.32 ± 0.17 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0952 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
2238512.cif 2238512.hkl |
| 181307 | 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 2/23/85. |
2238512.cif 2238512.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. |
2238512.cif 2238512.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238512.cif 2238512.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238512.cif 2238512.hkl |
| 88649 | 2013-10-02 | cif/ Adding structures of 2238512 via cif-deposit CGI script. |
2238512.cif |
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Users of the data should acknowledge the original authors of the
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