Crystal structure of catena-poly[calcium-di-μ3-benzoato-κ6O,O′:O-μ2-(dimethyl sulfoxide)-κ2O:O]

• Main Authors: Anna S. Voronova, Svitlana R. Petrusenko, Evgeny Goreshnik
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-08-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; calcium benzoate; coordination polymer; C—H...π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015012487

In the title complex, [Ca(C7H5O2)2(C2H6OS)]n, the Ca2+ ion (site symmetry m..) is surrounded by eight O atoms, six from two bridging–chelating tridentate benzoate carboxyl groups and two from a bridging dimethyl sulfoxide molecule (point group symmetry m..), giving an irregular coordination geometry [Ca—O bond length range = 2.345 (2)–2.524 (2) Å]. One-dimensional coordination complex chains extending parallel to c are generated in which the triply μ2-O-bridged Ca2+ cations are separated by 3.6401 (5) Å. In the crystal, weak intrachain C—H...π hydrogen bonds are present between the methyl H atoms of the dimethyl sulfoxide molecules as donors and the aromatic rings as acceptors [C—H...Cg = 3.790 (4) Å].