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Two Light‐Metal Dihydrogenisocyanurate Hydrates Linked by Diagonal Relationship: Syntheses, Crystal Structures, and Vibrational Spectra of Li[H 2 N 3 C 3 O 3 ]·1.75 H 2 O and Mg[H 2 N 3 C 3 O 3 ] 2 ·8 H 2 O
Author(s) -
Reckeweg Olaf,
Lissner Falk,
Blaschkowski Björn,
Gross Peter,
Höppe Henning A.,
Schleid Thomas
Publication year - 2020
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.202000015
Subject(s) - triclinic crystal system , crystallography , crystal structure , chemistry , hydrate , pleochroism , deprotonation , infrared spectroscopy , metal , molecule , stoichiometry , ion , organic chemistry
Single‐crystalline materials of Li[H 2 N 3 C 3 O 3 ] · 1.75 H 2 O and Mg[H 2 N 3 C 3 O 3 ] 2 · 8 H 2 O were obtained by dissolving stoichiometric amounts of the respective carbonates with cyanuric acid in boiling water followed by gentle evaporation of excess water after cooling to room temperature. Even though both of these compounds crystallize in the triclinic space group P 1 according to X‐ray structure analyses of their colorless and transparent single crystals, they adopt two new different structure types. Li[H 2 N 3 C 3 O 3 ] · 1.75 H 2 O exhibits the unit‐cell parameters a = 884.71(6) pm, b = 905.12(7) pm, c = 964.38(7) pm, α = 67.847(2)°, β = 62.904(2)° and γ = 68.565(2)° ( Z = 4), whereas the lattice parameters for Mg[H 2 N 3 C 3 O 3 ] 2 · 8 H 2 O are a = 691.95(5) pm, b = 1055.06(8) pm, c = 1183.87(9) pm, α = 85.652(2)°, β = 83.439(2)° and γ = 79.814(2)° ( Z = 2). In both cases, the singly deprotonated isocyanuric acid forms monovalent anions consisting of cyclic [H 2 N 3 C 3 O 3 ] – units, which are arranged in ribbons typical for most hitherto known monobasic isocyanurate hydrates. The structures are governed by the oxophilic strength of the respective cation which means that they fulfil their oxophilic coordination requirements either solely with water molecules ([Mg(OH 2 ) 6 ] 2+ for Mg 2+ ) or with crystal water and one or two direct coordinative contacts to carbonyl oxygen atoms (O (cy) ) of [H 2 N 3 C 3 O 3 ] – anions ([(Li(OH 2 ) 2–3 (O (cy)1–2 ] + for Li + ). In both structures occur dominant hydrogen bonds N–H ··· O within the anionic [H 2 N 3 C 3 O 3 ] – ribbons as well as hydrogen bonds O–H ··· O between these ribbons and the hydrated Li + and Mg 2+ cations.