首页> 外文期刊>Journal of chemical crystallography >Crystal and Molecular Structures of Three Salts from Aliphatic Amines (2,4-Dichlorophenoxy)-acetic acid, 4-Nitrophthalic Acid, and 1,5-Naphthalenedisulfonic Acid
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Crystal and Molecular Structures of Three Salts from Aliphatic Amines (2,4-Dichlorophenoxy)-acetic acid, 4-Nitrophthalic Acid, and 1,5-Naphthalenedisulfonic Acid

机译:脂肪胺(2,4-二氯苯氧基)-乙酸,4-硝基邻苯二甲酸和1,5-萘二磺酸的三种盐的晶体和分子结构

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Three aliphatic amine derived supramolecular complexes were synthesized and structurally characterized by X-ray crystallography. All these structures adopted the hetero supramolecular synthons. Compound 1 crystallizes in the monoclinic, space group C2/c, with a = 40.328(7) , b = 7.2054(14) , c = 7.6464(17) , alpha = 90A(0), beta = 97.364(16)A(0), gamma A = 90A(0), V = 2203.6(8) (3), Z = 8. Compound 2 crystallizes in the monoclinic, space group P2(1), with a = 7.4134(4) , b = 18.3749(14) , c = 12.1456(12) , alpha = 90A(0), beta = 104.227(2)A(0), gamma A = 90A(0), V = 1603.7(2) (3), Z = 4. Compound 3 crystallizes in the monoclinic, space group P2(1)/c, with a = 9.8804(7) , b = 10.5061(8) , c = 11.8262(9) , alpha = 90A(0), beta = 104.674(2)A(0), gamma A = 90A(0), V = 1187.57(15) (3), Z = 2. Analysis of the crystal packing of 1-3 suggests that there are N-H center dot center dot center dot O hydrogen bonds between the acids and the aliphatic amines in all of the compounds. Except the classical hydrogen bonds, the secondary propagating interactions including CH center dot center dot center dot O, CH2 center dot center dot center dot O, CH2 center dot center dot center dot Cl, CH3 center dot center dot center dot pi, and pi center dot center dot center dot pi interactions also play important roles in the structure extension. In conclusion, we have shown that 2D-3D structures can be constructed by the collective non-covalent interactions.
机译:合成了三种脂族胺衍生的超分子配合物,并通过X射线晶体学对其结构进行了表征。所有这些结构都采用了杂种超分子合成子。化合物1在单斜空间C2 / c空间中结晶,a = 40.328(7),b = 7.2054(14),c = 7.6464(17),alpha = 90A(0),beta = 97.364(16)A( 0),伽玛A = 90A(0),V = 2203.6(8)(3),Z = 8.化合物2在单斜空间群P2(1)/ n中结晶,a = 7.4134(4),b = 18.3749(14),c = 12.1456(12),alpha = 90A(0),beta = 104.227(2)A(0),γA = 90A(0),V = 1603.7(2)(3),Z =4。化合物3在单斜空间群P2(1)/ c中结晶,其中a = 9.8804(7),b = 10.5061(8),c = 11.8262(9),alpha = 90A(0),beta = 104.674(2)A(0),伽玛A = 90A(0),V = 1187.57(15)(3),Z =2。分析晶体堆积为1-3时,表明有NH中心点中心点中心所有化合物中酸和脂族胺之间的点O氢键。除经典氢键外,CH 2中心点中心点中心点O,CH 2中心点中心点中心点O,CH 2中心点中心点中心点Cl,CH 3中心点中心点中心点pi和pi中心的二次传播相互作用点中心点中心pi相互作用在结构扩展中也起着重要作用。总之,我们已经表明,可以通过集体的非共价相互作用来构建2D-3D结构。

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