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Information card for entry 2236660
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| Coordinates | 2236660.cif |
|---|---|
| Structure factors | 2236660.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate |
|---|---|
| Formula | C15 H15 I N2 O4 |
| Calculated formula | C15 H15 I N2 O4 |
| SMILES | Ic1ccc(O)c(c1)/C=N/NC(=O)c1ccc(O)cc1.OC |
| Title of publication | (<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate |
| Authors of publication | Mahboubi Anarjan, Parisa; Monfared, Hassan Hosseini; Arslan, N. Burcu; Kazak, Canan; Bikas, Rahman |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2698 |
| a | 10.1077 ± 0.0007 Å |
| b | 12.5703 ± 0.0011 Å |
| c | 13.1586 ± 0.0017 Å |
| α | 90° |
| β | 102.886 ± 0.01° |
| γ | 90° |
| Cell volume | 1629.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236660.cif 2236660.hkl |
| 181288 | 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 2/23/66. |
2236660.cif 2236660.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. |
2236660.cif 2236660.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236660.cif 2236660.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. | 2236660.cif 2236660.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236660.cif 2236660.hkl |
| 70255 | 2012-12-21 | cif/ Adding structures of 2236660 via cif-deposit CGI script. |
2236660.cif |
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Users of the data should acknowledge the original authors of the
structural data.