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Crystal structure of potassium hydrogen bis-(()-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetate).

作者信息

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

机构信息

Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi 10000, Vietnam.

High School for Gifted Students, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi 10000, Vietnam.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 May 11;77(Pt 6):609-614. doi: 10.1107/S2056989021004801. eCollection 2021 Jun 1.

Abstract

The synthesis and spectroscopic data of ()-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, CHKOS or [K(CHOS)(CHOS)] , 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 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.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3bb/8183452/349389a41ff6/e-77-00609-fig1.jpg

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