Thiobenzamide and thionicotnamide S-oxide were prepared as intermediates in the dimerization of corresponding thioamides to 1,2,4-thiadiazoles and the X-ray crystal structure of thionicotinamide S-oxide water solvate was determined. Crystals belong to orthorhombic Pbca space group with a = 14.129(3), b = 7.299(2), c = 15.277(3)Angstrom, and Z = 8. The geometry of the molecule accords well with that found in similar compounds; an intramolecular N-H ... O hydrogen bond is present, while the packing is mainly determined by the hydrogen bond system involving the water molecule and the side-chain of the organic molecule. The contacts between pyridine moieties, stacked along the [010] axis, complete the packing.
X-ray diffraction and self condensation reaction of thionicotinamide S-oxide / Corradi, Anna; Boga, C; Forlani, L; Sgarabotto, P.. - In: JOURNAL OF CHEMICAL CRYSTALLOGRAPHY. - ISSN 1074-1542. - STAMPA. - 29:(1999), pp. 115-119.
X-ray diffraction and self condensation reaction of thionicotinamide S-oxide
CORRADI, Anna;
1999
Abstract
Thiobenzamide and thionicotnamide S-oxide were prepared as intermediates in the dimerization of corresponding thioamides to 1,2,4-thiadiazoles and the X-ray crystal structure of thionicotinamide S-oxide water solvate was determined. Crystals belong to orthorhombic Pbca space group with a = 14.129(3), b = 7.299(2), c = 15.277(3)Angstrom, and Z = 8. The geometry of the molecule accords well with that found in similar compounds; an intramolecular N-H ... O hydrogen bond is present, while the packing is mainly determined by the hydrogen bond system involving the water molecule and the side-chain of the organic molecule. The contacts between pyridine moieties, stacked along the [010] axis, complete the packing.
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