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Information card for entry 2239314
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| Coordinates | 2239314.cif |
|---|---|
| Structure factors | 2239314.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide |
|---|---|
| Formula | C14 H12 F N3 O |
| Calculated formula | C14 H12 F N3 O |
| SMILES | O=C(c1ccncc1)N/N=C(/c1ccccc1F)C |
| Title of publication | <i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide |
| Authors of publication | Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o532 - o533 |
| a | 8.2649 ± 0.0006 Å |
| b | 19.2127 ± 0.0014 Å |
| c | 8.0554 ± 0.0005 Å |
| α | 90° |
| β | 99.244 ± 0.003° |
| γ | 90° |
| Cell volume | 1262.51 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239314.cif 2239314.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239314.cif 2239314.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239314.cif 2239314.hkl |
| 109384 | 2014-04-11 | cif/ hkl/ Adding structures of 2239314 via cif-deposit CGI script. |
2239314.cif 2239314.hkl |
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