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Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination
The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu 16, 29–32; Wang et al. (2007 ▶). Youji Huaxue, 27, 524] of the title compound, C(12)H(14)N(2)O(3), gave only the unit-cell dimensions and an R factor with no other details available: the full structure is presented here. The...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051542/ https://www.ncbi.nlm.nih.gov/pubmed/21523121 http://dx.doi.org/10.1107/S1600536811002200 |
Sumario: | The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu 16, 29–32; Wang et al. (2007 ▶). Youji Huaxue, 27, 524] of the title compound, C(12)H(14)N(2)O(3), gave only the unit-cell dimensions and an R factor with no other details available: the full structure is presented here. The ethoxy group is disordered over two orientations with refined occupancies of 0.642 (15):0.358 (15). The nine C atoms and two N atoms of the 1-phenyl-2-(propan-2-ylidene)hydrazine segment of the molecule are close to being coplanar, with a maximum deviation of 0.0779 (14) Å for the phenylamino N atom and an intramolecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, pairs of C—H⋯O hydrogen bonds link molecules into inverson dimers, generating R (2) (2)(16) loops. |
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