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Information card for entry 2242370
Preview
| Coordinates | 2242370.cif |
|---|---|
| Structure factors | 2242370.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H13 Cl N2 O S |
|---|---|
| Calculated formula | C14 H13 Cl N2 O S |
| Title of publication | Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions |
| Authors of publication | Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 313 - 318 |
| a | 6.7454 ± 0.0005 Å |
| b | 20.2993 ± 0.0014 Å |
| c | 10.1592 ± 0.0007 Å |
| α | 90° |
| β | 97.51 ± 0.002° |
| γ | 90° |
| Cell volume | 1379.14 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206295 (current) | 2018-02-08 | cif/ hkl/ Adding structures of 2242367, 2242368, 2242369, 2242370 via cif-deposit CGI script. |
2242370.cif 2242370.hkl |
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Users of the data should acknowledge the original authors of the
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