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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...

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Detalles Bibliográficos
Autores principales: Vu Quoc, Trung, Phan Thuy, Linh, Do Ba, Dai, Tran Thi Thuy, Duong, Nguyen Ngoc, Linh, Nguyen Thuy, Chinh, Duong Khanh, Linh, Ha Manh, Hung, Thai, Hoang, Le Van, Khoe, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
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
Descripción
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.