首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Structure and Hirshfeld surface analysis of the salt NNN-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
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Structure and Hirshfeld surface analysis of the salt NNN-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate

机译:NNN-三甲基-1-(4-乙烯基­苯基)甲铵4-乙烯基­苯­磺酸盐的结构和Hirshfeld表面分析

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摘要

In the title compound, the asymmetric unit comprises an N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium cation and a 4-vinyl­benzene­sulfonate anion, C12H18N+·C8H7O3S. The salt has a polymerizable vinyl group attached to both the cation and the anion. The methanaminium and vinyl substituents on the benzene ring of the cation subtend angles of 86.6 (3) and 10.5 (9)° to the ring plane, while the anion is planar excluding the sulfonate O atoms. The vinyl substituent on the benzene ring of the cation is disordered over two sites with a refined occupancy ratio of 0.542 (11):0.458 (11). In the crystal, C—H⋯O hydrogen bonds dominate the packing and combine with a C—H⋯π(ring) contact to stack the cations and anions along the a-axis direction. Hirshfeld surface analysis of the salt and of the individual cation and anion components is also reported.
机译:在标题化合物中,不对称单元包含N,N,N-三甲基-1-(4-乙烯基苯基)甲基铵阳离子和4-乙烯基苯磺酸根阴离子,C12H18N + ·C8H7O3S -< / sup>。该盐具有连接到阳离子和阴离子上的可聚合乙烯基。阳离子苯环上的甲烷胺基和乙烯基取代基与环平面成86.6°(3)和10.5°(9)°的角,而阴离子是平面的,不包括磺酸盐O原子。阳离子苯环上的乙烯基取代基在两个位置上无序排列,精细占据比为0.542(11):0.458(11)。在晶体中,CHOH氢键占主导地位,并与CHOHπ(环)接触相结合,沿a轴方向堆叠阳离子和阴离子。还报道了该盐以及各个阳离子和阴离子成分的Hirshfeld表面分析。

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