亚甲基和亚乙基二(二甲基二硫代氨基甲酸酯)的合成及结构表征

通过 X-射线晶体衍射 ,确定了 ( Me2 NCS2 ) 2 CH2 (化合物 I)和Me2 NCS2 CH2 CH2 S2 CNMe2 (化合物 )的晶体和分子结构。 ( M2 NCS2 ) 2 CH2 属于正交晶系 ,空间群为 :Pca2 1 ,晶胞参数为 :a=1 3.80 99( 3) ,b=4.345 3( 1 ) ,c=2 0 .3686( 4 ) ,Z=4。 Me2 NCS2 CH2 CH2 S2 CNMe2 属单斜晶系 ,空间群为 :P2 1/c,晶胞参数为 :a=6.0 69( 7) ,b=7.82 9( 2 ) ,c=1 3.45 5 ( 3) ,β =91 .76( 3)°,Z=2。它们都包含了由硫原子与烷基相连的两个二甲基二硫代氨基甲酸酯基团。在化合物 I中 ,由亚甲基相连的两个二甲基二硫代氨基甲酸酯平面间的二面角是 5 5 .92 ( 2 )°。在化合物 II中 ,原子 S1、C4、C41、S1 1所在平面与二甲基二硫代氨基甲酸酯的原子所在平面间的二面角为 84.4( 2 )°。在两种结构中 ,S2…C4的距离 (分别为 3.0 899( 2 ) ,3.0 966( 3) )比范德华半径 ( 3.5 5 )小很多。范德华力对晶体结构起到稳定作用

Structures of Methylene Bis(dimethyldithiocarbamate) and Ethylene Bis (dimethyldithiocarbamate): Me2NCS2CH2S2CNMe2 and Me2NCS2CH2CH2S2CNMe2

The crystal and molecular structures of methylene and ethylene bis(dimethy ldithiocarbamate), (Me 2NCS 2) 2CH 2(Ⅰ) and Me 2NCS 2CH 2,CH 2S 2CNMe 2 (Ⅱ) have been determined by X ray crystallography. The former crystallizes in the monoclinic system, space group Pca21, with lattice parameters a =13.809 9(3), b =43.453(1), c = 20.368 6(4) , and Z =4. The latter crystallizes belong to the monoclinic system, space group P2 1/c, with a =6.069(7), b =7.829(2), c =13.455(3), β =91.76(3),and Z =2.They both consist of two dimethyldithiocarbamate units joined by an S atom to an alkylene group. In (I), the planes of two dithiocarbamate groups form a dihedral angle of 55.92(2)° to each other. In (II), the ethylene bridge and the bridged S atoms form a dihedral angle of 84.4 (2)° with the dimethyldithiocarbamate plane. In both structures, the S2...C4 contact distances [3.089 9 (2)in (I) and 3.096 6 (3)in(Ⅱ) ]are significantly shorter than the sum of the van der Waals radi (3.55). Their crystal structures are all stabilized by van der Waals interaction.