O,O-Dimethyl O-(4-sulfamoylphenyl) phosphorothioate (cythioate)
نویسندگان
چکیده
The title mol-ecule, C8H12NO5PS2, exhibits a crystallographic mirror plane that is perpendicular to the ring and bis-ects the sulfamoyl and thio-phosphate ester groups. In the crystal, mol-ecules are linked by N-H⋯O hydrogen-bonding inter-actions reminiscent of carb-oxy-lic acid hydrogen bonding pairs, forming chains parallel to the b-axis direction.
منابع مشابه
DFT study of dimers of dimethyl sulfoxide in gas phase
Density functional (DFT) calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO) dimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Three types of interactions are observed, CH•••O, CH•••...
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In the title compound, C(8)H(9)ClN(2)O(3)S, the benzene ring makes a dihedral angle of 4.1 (9)° with the amido -NHCO- plane including the major occupancy component of the carbonyl O atom [19 (4)° for the minor component]. An intra-molecular C-H⋯O inter-action occurs. The O atom of the carbonyl group is disordered over two positions with site-occupancy factors of 0.67 (11) and 0.33 (11). Inter-m...
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