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Information card for entry 1542601
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| Coordinates | 1542601.cif |
|---|---|
| Structure factors | 1542601.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide |
|---|---|
| Formula | C14 H8 Cl F3 N2 O |
| Calculated formula | C14 H8 Cl F3 N2 O |
| SMILES | Clc1ccc(cc1)C(=O)N/N=C/c1c(F)cc(F)c(F)c1 |
| Title of publication | (<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide |
| Authors of publication | Maheswari, R.; Manjula, J.; Gunasekaran, B. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160304 |
| a | 6.4998 ± 0.0002 Å |
| b | 7.4286 ± 0.0002 Å |
| c | 14.8289 ± 0.0004 Å |
| α | 84.859 ± 0.002° |
| β | 86.707 ± 0.002° |
| γ | 83.313 ± 0.002° |
| Cell volume | 707.47 ± 0.03 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542601.cif 1542601.hkl |
| 181479 | 2016-04-04 | cif/ Updating files of 1542601 Original log message: Adding full bibliography for 1542601.cif. |
1542601.cif 1542601.hkl |
| 177155 | 2016-03-03 | cif/ hkl/ Adding structures of 1542601 via cif-deposit CGI script. |
1542601.cif 1542601.hkl |
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Users of the data should acknowledge the original authors of the
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