Crystal structure of potassium hydrogen bis((E)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate)

• Main Authors: 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, Luc Van Meervelt
• Format: Article
• Language: English
• Published: International Union of Crystallography 2021-06-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; hydrogen bonding; potassium salt; thiophene; hirshfeld analysis
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989021004801

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, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)]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.