Tyrammonium 4-nitrophthalate dihydrate: structural and spectroscopic elucidation |
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| Authors: | Tsonko Kolev Bojidarka B. Koleva Rüdiger W. Seidel Heike Mayer-Figge Michael Spiteller William S. Sheldrick |
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| Affiliation: | 1.Institut für Umweltforschung,Universit?t Dortmund,Dortmund,Germany;2.Lehrstuhl für Analytische Chemie,Ruhr-Universit?t Bochum,Bochum,Germany |
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| Abstract: | Tyrammonium 4-nitrophthalate has been synthesized and its structural and spectroscopic properties elucidated by single-crystal X-ray diffraction, solid-state polarized IR-spectroscopy of oriented colloids in a nematic host, HPLC with tandem mass spectrometry (HPLC ESI-MSMS), and TGV and DSC methods. The compound crystallizes in the monoclinic P21/c space group and its structure consists of a 3D network of molecules joined by intermolecular interactions with the participation of cations, anions and two solvent molecules. The tyrammonium cation adopts a T trans configuration with corresponding angles of ϕ 1 = 76.0(4)°, ϕ 2 = 54.8(1)° and ϕ 3 = 63.4(1)°, respectively. In the 4-nitrophthalate anion, the COO− and COOH groups are turned off the plane of the benzene ring at angles of τ 1 = 88.1(5)° and τ 2= 22.1(7)°, respectively. |
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