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Crystal structure of ethyl 3-(4-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
In the title compound, C(16)H(17)ClN(2)O(3), two molecules, A and B, with different conformations, comprise the asymmetric unit. In molecule A, the C=O group of the ester points away from the benzene ring [C—C—C=O = −170.8 (3)°], whereas in molecule B, it points back towards the benzene ring [C—C...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719961/ https://www.ncbi.nlm.nih.gov/pubmed/26870480 http://dx.doi.org/10.1107/S2056989015023257 |
Sumario: | In the title compound, C(16)H(17)ClN(2)O(3), two molecules, A and B, with different conformations, comprise the asymmetric unit. In molecule A, the C=O group of the ester points away from the benzene ring [C—C—C=O = −170.8 (3)°], whereas in molecule B, it points back towards the benzene ring [C—C—C=O = 17.9 (4)°]. The dihedral angles betweeen the oxazole and benzene rings also differ somewhat [46.26 (13) for molecule A and 41.59 (13) for molecule B]. Each molecule features an intramolecular C—H⋯O interaction, which closes an S(6) ring. In the crystal, the B molecules are linked into [001] C(12) chains by weak C—H⋯Cl interactions. |
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