TY - JOUR
T1 - Crystal structure, infrared and Raman spectra of tripotassium trisaccha-rinate dihydrate, K3(C7H 4NO3S)3·2H2O
AU - Jovanovski, Gligor
AU - Kaitner, Branko
AU - Grupce, Orhideja
AU - Naumov, Pance
N1 - Funding Information:
The ¯nancial support of the Ministry of Education and Science of the Republic of Macedonia and the Ministry of Science and Techlongy ofothe Republic of Croatia are gratefully acknowledged.
PY - 2004/1
Y1 - 2004/1
N2 - The crystal structure of tripotassium trisaccharinate dihydrate, K3(C7H4NO3S)3 ·2H2O, is triclinic, space group P 1̄, Z = 2. It consists of three crystallographically independent potassium and saccharinato ions as well as two structurally different water molecules. Potassium coordination polyhedra are irregular, with K1 and K3 six-coordinated and the third one K2 seven-coordinated. The K-O distances range from 2.652(9) to 3.100(2) Å(mean: 2.790 Å) whereas the K-N distance is 3.025(3) Å. The water molecules W2 is disordered over three positions with occupancies of approximately 0.6, 0.2 and 0.2. The hydrogen atom (H1W1) of the ordered water molecule (O1W) is hydrogen bonded to the sulfonyl oxygen atom (O11) (R(O...O) = 2.976(3) Å), whereas the other hydrogen atom (H2W1) is bifurcated to the carbonyl oxygen atom (O13) (R(O...O) = 2.851(3) Å) and the disordered water molecules (O23W) (R(O...O) = 3.067(12) Å). The carbonyl oxygens (O13, O23 and O33) and one of the disordered water molecules (O22W) are involved in C-H...O hydrogen bonds (R(C-H...O) = 3.027(4) - 3.304(9) Å). Structural characteristics of the studied compound are compared with the analogous trisodium trisaccharinate dihydrate and dipotassium sodium trisaccharinate monohydrate. Infrared and Raman spectra of the title compound have been analyzed in relation to the structure, and compared with the spectra of trisodium trisaccharinate dihydrate.
AB - The crystal structure of tripotassium trisaccharinate dihydrate, K3(C7H4NO3S)3 ·2H2O, is triclinic, space group P 1̄, Z = 2. It consists of three crystallographically independent potassium and saccharinato ions as well as two structurally different water molecules. Potassium coordination polyhedra are irregular, with K1 and K3 six-coordinated and the third one K2 seven-coordinated. The K-O distances range from 2.652(9) to 3.100(2) Å(mean: 2.790 Å) whereas the K-N distance is 3.025(3) Å. The water molecules W2 is disordered over three positions with occupancies of approximately 0.6, 0.2 and 0.2. The hydrogen atom (H1W1) of the ordered water molecule (O1W) is hydrogen bonded to the sulfonyl oxygen atom (O11) (R(O...O) = 2.976(3) Å), whereas the other hydrogen atom (H2W1) is bifurcated to the carbonyl oxygen atom (O13) (R(O...O) = 2.851(3) Å) and the disordered water molecules (O23W) (R(O...O) = 3.067(12) Å). The carbonyl oxygens (O13, O23 and O33) and one of the disordered water molecules (O22W) are involved in C-H...O hydrogen bonds (R(C-H...O) = 3.027(4) - 3.304(9) Å). Structural characteristics of the studied compound are compared with the analogous trisodium trisaccharinate dihydrate and dipotassium sodium trisaccharinate monohydrate. Infrared and Raman spectra of the title compound have been analyzed in relation to the structure, and compared with the spectra of trisodium trisaccharinate dihydrate.
KW - Crystal structure
KW - Potassium saccharinate dihydrate
KW - Structure-spectral correlations
KW - Vibrational (infrared and Raman) spectra
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U2 - 10.2478/BF02476195
DO - 10.2478/BF02476195
M3 - Article
AN - SCOPUS:18044363567
SN - 1895-1066
VL - 2
SP - 254
EP - 275
JO - Central European Journal of Chemistry
JF - Central European Journal of Chemistry
IS - 1
ER -