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Jrg Dalluhn Hans‐Heinrich Prhl Axel K. Fischer Peter G. Jones Armand Blaschette 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1109-1111
The prominent features in the molecular structure of the title compound (alternative name: 2‐diethylcarbamoyl‐1,1,3,3‐tetraoxo‐1,3,2‐benzodithiazole), C11H14N2O5S2, arise in the urea moiety S2N—C(O)—N′C2: the sum of the angles at N is 332.3 (1)°, the N—C(O)—N′C2 unit is planar, and distances N—C(O) = 1.494 (3) Å, N′—C(O) = 1.325 (2) Å and C—O = 1.215 (2) Å. The molecules are associated via five C—H?O hydrogen bonds to form layers parallel to the yz plane. This compound and its dimethyl homologue, which were synthesized by treating the silver salt of o‐benzenedisulfonimide with carbamoyl chlorides, are prone to rapid hydrolysis at the weak N—C(O) bond. For both molecules, the rotational barrier about the partial N′—C(O) double bond is ca 50 kJ mol?1 at 250 K (from dynamic 1H NMR experiments). 相似文献
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