The mol-ecule of the title compound C7H8N4O·0.5H2O, alternatively called (E)-1-(pyridin-4-yl-methyl-ene)semi-carb-azide hemihydrate, is in the E conformation and is almost planar; the r.m.s. deviation of the positions of the atoms of the pyridine ring from the best-fit plane is 0.0039â à . The C, N and O atoms of the rest of the mol-ecule sits close on this plane with a largest deviation of 0.115â (4)â à for the O atom of the semicarbazone moiety. There is an intra-molecular N-Hâ¯N hydrogen bond. In the crystal, mol-ecules are linked into an infinite three-dimensional network by classical N-Hâ¯Os (s = semicarbazone) and Ow-Hâ¯N (w = water) hydrogen bonds.
Crystal structure of 4-formyl-pyridine semicarbazone hemihydrate.
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作者:Inoue Mayara Hissami, Back Davi F, Burrow Robert A, Nunes Fábio Souza
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2015 | 起止号: | 2015 Apr 18; 71(Pt 5):o317-8 |
| doi: | 10.1107/S2056989015007276 | ||
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