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Information card for entry 2240259
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| Coordinates | 2240259.cif |
|---|---|
| Structure factors | 2240259.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Hydroxyimino-2-(pyridin-2-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide |
|---|---|
| Formula | C14 H13 N5 O2 |
| Calculated formula | C14 H13 N5 O2 |
| SMILES | O/N=C(\c1ncccc1)C(=O)N/N=C(\C)c1ncccc1 |
| Title of publication | Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide |
| Authors of publication | Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 584 - 586 |
| a | 11.4319 ± 0.0009 Å |
| b | 9.3598 ± 0.0004 Å |
| c | 12.4297 ± 0.0009 Å |
| α | 90° |
| β | 105.016 ± 0.003° |
| γ | 90° |
| Cell volume | 1284.57 ± 0.15 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240259.cif 2240259.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240259.cif 2240259.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240259.cif 2240259.hkl |
| 128012 | 2014-11-30 | cif/ hkl/ Adding structures of 2240259 via cif-deposit CGI script. |
2240259.cif 2240259.hkl |
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