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K 3 [C 3 N 3 (COO) 3 ]·2H 2 O – Crystal Structure of a New Alkali Derivative of the Multidentate Ligand Triazine Tricarboxylate
Author(s) -
Makowski Sophia J.,
Hörmannsdorfer Michael,
Schnick Wolfgang
Publication year - 2010
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201000245
Subject(s) - crystallography , crystal structure , chemistry , alkali metal , molecule , denticity , aqueous solution , crystal (programming language) , ligand (biochemistry) , single crystal , organic chemistry , biochemistry , receptor , computer science , programming language
Potassium‐1,3,5‐triazine‐2,4,6‐tricarboxylate dihydrate K 3 [C 3 N 3 (COO) 3 ] · 2H 2 O was obtained by saponification of the respective ethyl ester in aqueous solution under mild conditions and subsequent crystallization at 4 °C. The crystal structure of the molecular salt was elucidated by single‐crystal X‐ray diffraction [ P $\bar{1}$ , a = 696.63(14), b = 1748.5(3), c = 1756.0(3) pm, α = 119.73(3), β = 91.96(3), γ = 93.84(3)°, V = 1847.6(6) · 10 6 pm 3 , Z = 6, T = 200 K]. Perpendicular to [100] the triazine tricarboxylate and potassium ions are arranged in layers alternating with layers of crystal water molecules. Two thirds of the triazine tricarboxylate units form hexagonal channels being filled with the remaining triazine tricarboxylate molecules. K 3 [C 3 N 3 (COO) 3 ] · 2H 2 O was additionally investigated by means of FTIR spectroscopy, TG and DTA measurements.