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Crystal structure of potassium hydrogen bis((E)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate)
The synthesis and spectroscopic data of (E)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetic acid are described. Crystallization from an ethanol–water mixture resulted in the title compound, C(30)H(23)KO(8)S(2) or [K(C(15)H(11)O(4)S)(C(15)H(12)O(4)S)](n), containing one molecule of the acid and on...
Autores principales: | , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183452/ https://www.ncbi.nlm.nih.gov/pubmed/34164137 http://dx.doi.org/10.1107/S2056989021004801 |
Sumario: | The synthesis and spectroscopic data of (E)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetic acid are described. Crystallization from an ethanol–water mixture resulted in the title compound, C(30)H(23)KO(8)S(2) or [K(C(15)H(11)O(4)S)(C(15)H(12)O(4)S)](n), containing one molecule of the acid and one molecule of the potassium salt in the asymmetric unit. Both molecules share the H atom between their carboxyl groups and a potassium ion. The C=C bonds display an E configuration. The thiophene and phenyl rings in the two molecules are inclined by 43.3 (2) and 22.7 (2)°. The potassium ion is octahedrally coordinated by six O atoms. This distorted octahedron shares on opposite sides two oxygen atoms with inversion-related octahedra, resulting in chains of octahedra running in the [010] direction, which form ladder-like chains by C—H⋯π interactions. A Hirshfeld surface analysis indicates that the highest contributions to the surface contacts arise from interactions in which H atoms are involved, with the most important contribution being from H⋯H (31.6 and 31.9% for the two molecules) interactions. |
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