Three types of supramolecular interactions are identified in the three crystallographic directions in crystals of 1,4-bis[(1-hexylurac-6-yl)ethynyl]benzene, a uracil-based molecule with a linear backbone. These three interactions, characterized by their strongest component, are: intermolecular double H-bonds along the molecular axis, London dispersion interaction of hexyl chains connecting these linear assemblies, and π$\pi$–π$\pi$ stacking of the aromatic rings perpendicular to the molecular planes. On heating, two transitions happen, disordering of hexyl chains at 473 K, followed by H-bond melting at 534 K. The nature of the bonds and transitions was established by matrix-isolation and temperature-dependent infrared spectroscopy and supported by theoretical computations.

在三个晶体学方向上，在具有线性骨架的基于尿嘧啶的分子1,4-双[（1-己基尿嘧啶-6-基）乙炔基]苯的晶体中，在三种晶体学方向上鉴定出三种类型的超分子相互作用。这三个相互作用的最强成分是：沿着分子轴的分子间双H键，连接这些线性组件的己基链的伦敦分散相互作用和π$\pi$- π$\pi$垂直于分子平面的芳环堆叠。加热时，发生两个跃迁，即473 K处的己基链无序，随后在534 K处发生H键熔融。键和跃迁的性质是通过基质分离和依赖温度的红外光谱确定的，并得到了理论计算的支持。