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-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetic acid are described. Crystallization from an ethanol-water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one mol-ecule of the acid and one mol-ecule of the p...

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Veröffentlicht in:ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 2021-06, Vol.77 (Pt 6), p.609-+
Hauptverfasser: Trung, Vu Quoc, Linh, Phan Thuy, Dai, Do Ba, Duong, Tran Thi Thuy, Linh, Nguyen Ngoc, Chinh, Nguyen Thuy, Linh, Duong Khanh, Hung, Ha Manh, Hoang, Thai, Khoe, Le Van, Van Meervelt, Luc
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creator Trung, Vu Quoc
Linh, Phan Thuy
Dai, Do Ba
Duong, Tran Thi Thuy
Linh, Nguyen Ngoc
Chinh, Nguyen Thuy
Linh, Duong Khanh
Hung, Ha Manh
Hoang, Thai
Khoe, Le Van
Van Meervelt, Luc
description The synthesis and spectroscopic data of (E)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetic acid are described. Crystallization from an ethanol-water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one mol-ecule of the acid and one mol-ecule of the potassium salt in the asymmetric unit. Both mol-ecules share the H atom between their carboxyl groups and a potassium ion. The C=C bonds display an E configuration. The thio-phene and phenyl rings in the two mol-ecules are inclined by 43.3 (2) and 22.7 (2)°. The potassium ion is octa-hedrally coordinated by six O atoms. This distorted octa-hedron shares on opposite sides two oxygen atoms with inversion-related octa-hedra, resulting in chains of octa-hedra running in the [010] direction, which form ladder-like chains by C-H⋯π inter-actions. A Hirshfeld surface analysis indicates that the highest contributions to the surface contacts arise from inter-actions in which H atoms are involved, with the most important contribution being from H⋯H (31.6 and 31.9% for the two mol-ecules) inter-actions.
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title Crystal structure of potassium hydrogen bis((E)-2{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate)
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