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Information card for entry 8103084
Preview
| Coordinates | 8103084.cif |
|---|---|
| External links | PubChem |
| Chemical name | 2-chloro-<i>N'</i>-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide methanol solvate, C~14~H~9~Cl~3~N~2~O~2~.CH~3~OH |
|---|---|
| Formula | C15 H13 Cl3 N2 O3 |
| Calculated formula | C15 H13 Cl3 N2 O3 |
| SMILES | Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1c(Cl)cccc1.OC |
| Title of publication | Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide — methanol (1:1), C14H9Cl3N2O2 · CH3OH |
| Authors of publication | Yu-Mei Hao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 47 |
| a | 11.172 ± 0.003 Å |
| b | 9.713 ± 0.003 Å |
| c | 15.671 ± 0.004 Å |
| α | 90° |
| β | 96.516 ± 0.003° |
| γ | 90° |
| Cell volume | 1689.5 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8103084.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103084.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103084.cif |
| 28996 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103084 via cif-deposit CGI script. |
8103084.cif |
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