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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Acknowledgments
B.K. wishes to thank the Alexander von Humboldt Foundation for a Fellowship and T.K. is grateful to the DAAD for a grant within the priority program “Stability Pact South-Eastern Europe” and the Alexander von Humboldt Foundation. Supporting information: Crystallographic data for the structural analysis have been deposited with the Cambridge Crystallographic Data Centre, CCDC 664745 Copies of this information may be obtained from the Director, CCDC, 12 Union Road, Cambridge, CB2 1EZ, UK (Fax: +44-1223-336033; e-mail: deposit@ccdc.cam.ac.uk or http://www.ccdc.cam.ac.uk).
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Kolev, T., Koleva, B.B., Seidel, R.W. et al. Tyrammonium 4-nitrophthalate dihydrate: structural and spectroscopic elucidation. Amino Acids 36, 29–33 (2009). https://doi.org/10.1007/s00726-007-0021-6
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DOI: https://doi.org/10.1007/s00726-007-0021-6