期刊
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
卷 645, 期 3, 页码 257-266出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.201800438
关键词
Cyanurate; Isocyanurate structure elucidation; sodium; x-ray diffraction; nitrogen heterocycles
The (iso)cyanurates Na[H2C3N3O3]H2O, Na-2[HC3N3O3]H2O, Na-2[HC3N3O3], and Na-3[C3N3O3] were synthesized phase pure from Na(2)CO(3)10H(2)O, NaOH, and cyanuric acid, respectively, in aqueous solution by carefully adjusting the crystallization conditions. The crystal structures of all compounds were determined by single-crystal X-ray diffraction {Na-2[HC3N3O3]H2O: P1, a = 3.51660(10) angstrom, b = 7.8300(3) angstrom, c = 11.3966(4) angstrom, = 86.4400(10)degrees, = 85.5350(10)degrees, = 85.0720(10)degrees, Z = 2, R-1 = 0.030, wR(2) = 0.078; Na-2[HC3N3O3]: Pnma, a = 6.3409(6) angstrom, b = 12.2382(13) angstrom, c = 6.5919(7) angstrom, Z = 4, R-1 = 0.045, wR(2) = 0.079; Na-3[C3N3O3]: R3c, a = 11.7459(3) angstrom, c = 6.5286(3) angstrom, Z = 3, R-1 = 0.039, wR(2) = 0.066}. The structures show ribbons (Na[H2C3N3O3]H2O), dimers (Na-2[HC3N3O3]H2O), chains (Na-2[HC3N3O3]), or columns (Na-3[C3N3O3]) of hydrogen-bonded and parallel stacked (iso)cyanurate anions. These motifs are shown to be characteristic for certain degrees of protonation and hydration, and all (iso)cyanurate crystal structures found so far were classified accordingly. X-ray powder patterns, thermogravimetry curves, IR and UV/Vis spectra were measured for all compounds.
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