Crystalline self-assembly induced by aromatic edge-to-face interactions: the crystal structure of 2,6,6,10-tetrabenzyl-2,10-diaza-6-azonia[11]paracyclophane bromide
作者： M Isabel Burguete , Michael Bolte , Juan C Frı́as , Enrique Garcı́a-España , Santiago V Luis
DOI: 10.1016/S0040-4020(02)00381-2
关键词:
摘要: The crystal structure of 2,6,6,10-tetrabenzyl-2,10-diaza-6-azonia[11]paracyclophane bromide reveals several intermolecular aromatic edge-to-face interactions which are important in the three-dimensional growing crystalline structure. Molecular dynamics and semiempirical studies indicate that conformer found is not most stable solution confirming role play structural arrangement solid state.
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