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Information card for entry 1545683
Preview
| Coordinates | 1545683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide |
|---|---|
| Chemical name | ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide |
| Formula | C14 H10 Cl2 N2 O2 |
| Calculated formula | C14 H10 Cl2 N2 O2 |
| SMILES | Clc1c(O)c(cc(Cl)c1)/C=N/c1ccc(C(=O)N)cc1 |
| Title of publication | Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals |
| Authors of publication | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini |
| Journal of publication | IUCrJ |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 3 |
| a | 7.4309 ± 0.0014 Å |
| b | 13.296 ± 0.002 Å |
| c | 14.694 ± 0.003 Å |
| α | 87.6 ± 0.006° |
| β | 80.034 ± 0.007° |
| γ | 75.859 ± 0.007° |
| Cell volume | 1386.5 ± 0.4 Å3 |
| Cell temperature | 453 ± 2 K |
| Ambient diffraction temperature | 453 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545683.cif |
| 195194 | 2017-04-05 | cif/ Adding structures of 1545680, 1545681, 1545682, 1545683, 1545684, 1545685 via cif-deposit CGI script. |
1545683.cif |
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Users of the data should acknowledge the original authors of the
structural data.