首页> 外文OA文献 >Crystal structures of N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolate
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Crystal structures of N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolate

机译:N,N-二甲基-(2-(2,2-二苯基)-2-丙-2-炔氧基)乙酰氧基)乙胺和N,N-二甲基-(2-(2,2-二苯基)-2 -4,4-,6-三硝基苯酚-丙-2-炔氧基)乙酰氧基)乙基铵

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摘要

The N,N-dimethylethylamminium unit in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine, C21H23NO3 (I), is disordered over two sets of atomic sites having occupancies of 0.880 (3) and 0. 120 (3), but there are no direction-specific interactions between the molecules of (I). The cation in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylammonium 2,4,6-trinitrophenolate (picrate), C21H24NO3+·C6H2N3O7- (II), shows a similar type of disorder, with occupancies of 0.654 (11) and 0.346 (11), although the overall conformation of the cation in (II) is different from that in the neutral (I). The component ions are are linked by an almost planar three-centre N—H···(O)2 hydrogen bond, and the ion pairs are further linked by a combination of three C—H···O hydrogen bonds to form sheets. Comparisons are made with some related structures.
机译:N,N-二甲基-[2-(2,2-二苯基)-2-丙-2-炔氧基乙酰氧基]乙胺C21H23NO3(I)中的N,N-二甲基乙基铵单元在两个具有占据度的原子位点上无序分别为0.880(3)和0. 120(3),但(I)分子之间没有方向特异性相互作用。 N,N-二甲基-[2-(2,2-二苯基)-2-丙-2-炔氧基乙酰氧基]乙基铵2,4,6-三硝基酚盐(苦味酸盐)的C21H24NO3 +·C6H2N3O7-(II)的阳离子尽管(II)中阳离子的整体构型与中性(I)中的阳离子总体构型不同,但相似类型的疾病,其占用率为0.654(11)和0.346(11)。组成离子通过几乎为平面的三中心N·H··(O)2氢键连接,离子对通过三个CH···O氢键的组合进一步键合以形成薄片。与一些相关结构进行了比较。

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