首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of two stilbazole derivatives: bis­{(E)-4-4-(di­ethyl­amino)­styr­yl-1-methyl­pyridin-1-ium} tetra­iodido­cadmium(II) and (E)-4-4-(di­ethyl­amino)­styr­yl-1-methyl­pyridin-1-ium 4-meth­oxy­benzene­sulfonate monohydrate
【2h】

Crystal structures of two stilbazole derivatives: bis­{(E)-4-4-(di­ethyl­amino)­styr­yl-1-methyl­pyridin-1-ium} tetra­iodido­cadmium(II) and (E)-4-4-(di­ethyl­amino)­styr­yl-1-methyl­pyridin-1-ium 4-meth­oxy­benzene­sulfonate monohydrate

机译:两种stilbazole衍生物的晶体结构:双{(E)-4- 4-(二乙基氨基)苯乙烯基 -1-甲基吡啶-1-基}四碘镉镉(II)和(E)-4- 4-(二乙基氨基)苯乙烯基 -1-甲基吡啶-1-4-甲氧基苯磺酸一水合物

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摘要

The title mol­ecular salts, (C18H23N2)2[CdI4], (I), and C18H23N2 +·C7H7O4S·H2O, (II), are stilbazole, or 4-styryl­pyridine, derivatives. The cation, (E)-4-[4-(di­ethyl­amino)­styr­yl]-1-methyl­pyridin-1-ium, has a methyl group attached to pyridine ring and a diethyl amine group attached to the benzene ring. The asymmetric unit of salt (I), comprises one cationic mol­ecule and half a CdI4 dianion. The Cd atom is situated on a twofold rotation axis and has a slightly distorted tetra­hedral coordination sphere. In (II), the anion consists of a 4-meth­oxy­benzene­sulfonate and it crystallizes as a monohydrate. In both salts, the cations adopt an E configuration with respect to the C=C bond and the pyridine and benzene rings are inclined to each other by 10.7 (4)° in (I) and 4.6 (2)° in (II). In the crystals of both salts, the packing is consolidated by offset π–π stacking inter­actions involving the pyridinium and benzene rings, with centroid–centroid distances of 3.627 (4) Å in (I) and 3.614 (3) Å in (II). In the crystal of (II), a pair of 4-meth­oxy­benzene­sulfonate anions are bridged by Owater—H⋯Osulfonate hydrogen bonds, forming loops with an R 2 4(8) motif. These four-membered units are then linked to the cations by a number of C—H⋯O hydrogen bonds, forming slabs lying parallel to the ab plane.
机译:(C18H23N2)2 [CdI4],(I)和C18H23N2 + ·C7H7O4S -·H2O(II)的标题分子盐是斯蒂巴唑或4-苯乙烯基吡啶,衍生物。阳离子(E)-4- [4-(4-(二乙基乙基氨基)苯乙烯基] -1-甲基­吡啶-1-鎓具有连接在吡啶环上的甲基和连接在苯环上的二乙胺基。盐(I)的不对称单元包含一个阳离子分子和一半的CdI4二价阴离子。 Cd原子位于双重旋转轴上,并具有稍微扭曲的四面体配位球。在(II)中,阴离子由4-甲氧基氧基苯苯磺酸盐组成,并且结晶为一水合物。在这两种盐中,阳离子相对于C = C键均采用E构型,并且吡啶和苯环彼此倾斜,在(I)中为10.7°(4)°,在(II)中为4.6°(2)°。在两种盐的晶体中,堆积都是通过涉及吡啶环和苯环的π-π偏移堆积相互作用而固结的,其中(I)的质心-质心距离为3.627(4)Å,而(II)的质心-质心距离为3.614(3)Å 。在(II)的晶体中,一对4-甲氧基­苯磺酸盐阴离子被Owater-H⋯O磺酸盐氢键桥接,形成带有R 2 4(8)图案的环。然后,这些四元单元通过多个CH = O氢键与阳离子连接,形成平行于ab平面的平板。

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