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Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate
The title compound, C(19)H(17)NO(5), obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P2(1)/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hydroxy isophthalate-based ester and that of the benzonitrile m...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273980/ https://www.ncbi.nlm.nih.gov/pubmed/32523761 http://dx.doi.org/10.1107/S2056989020004508 |
Sumario: | The title compound, C(19)H(17)NO(5), obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P2(1)/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hydroxy isophthalate-based ester and that of the benzonitrile moiety. The molecule is bent at the ether linkage, with a C(aryl)—O—C(aryl) bond angle of 116.74 (11)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds and other weak interactions forming a supramolecular framework. A Hirshfeld surface analysis was performed to generate two-dimensional fingerprint plots, which reveal the type of interactions occurring in the vicinity of the molecule. |
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