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Information card for entry 2240603
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| Coordinates | 2240603.cif |
|---|---|
| Structure factors | 2240603.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>E</i>)-2-Fluorobenzaldehyde (pyridin-2-yl)hydrazone |
|---|---|
| Chemical name | 2-[(<i>E</i>)-2-(2-Fluorobenzylidene)hydrazin-1-yl]pyridine |
| Formula | C12 H10 F N3 |
| Calculated formula | C12 H10 F N3 |
| SMILES | c1(c(F)cccc1)/C=N/Nc1ncccc1 |
| Title of publication | Crystal structure of (<i>E</i>)-2-fluorobenzaldehyde (pyridin-2-yl)hydrazone |
| Authors of publication | Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o362 - o363 |
| a | 3.85166 ± 0.00014 Å |
| b | 23.1757 ± 0.0007 Å |
| c | 11.4227 ± 0.0004 Å |
| α | 90° |
| β | 99.278 ± 0.004° |
| γ | 90° |
| Cell volume | 1006.31 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240603.cif 2240603.hkl |
| 136395 | 2015-05-13 | cif/ hkl/ Adding structures of 2240603 via cif-deposit CGI script. |
2240603.cif 2240603.hkl |
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Users of the data should acknowledge the original authors of the
structural data.