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Supramolecular alcohol-amine crystals and their hydrogen-bond patterns

机译:超分子醇胺晶体及其氢键模式

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An analysis of the structures of five new cocrystals with saturated hydrogen bonding between amines and alcohols is presented. These five are all cocrystals with p-phenylenediamine (PDA) and a mono- or diol. The cocrystals are p-phenylenediamine-phenol (112) [PDA . 2 phenol, (I)], p-phenylenediaminep-phenylphenol (1/2) [PDA . 2 p-phenylphenol (II)], p-phenylenediamine-2,6-dihydroxynaphthalene (II) [PDA . 2,6-dihydroxynaphthalene (III)], p-phenylenediamine-1,6-hexanediol (1/1) [PDA . 1,6-hexanediol (IV)] and p-phenylenediamine-p-chlorophenol (1/2).[PDA . 2 p-chlorophenol (V)]. These crystals have two distinctly different supramolecular hydrogen-bond patterns, when considering only the hydroxyl and amine groups. There are, in addition, variations in the ways covalently bonded crosslinks connect these hydrogen-bond networks. The graph sets of the hydrogen-bond networks of these and other published saturated amine-alcohol crystals are compared and suggestions made on how to present the graph-set descriptions, especially those involving infinite two- and three-dimensional networks of intersecting chains which are characteristic of most of these materials. [References: 20]
机译:提出了五个新的共晶体在胺和醇之间具有饱和氢键的结构分析。这五个都是与对苯二胺(PDA)和一元或二元醇共结晶的。共晶体是对苯二胺-苯酚(112)[PDA。 2苯酚,(I)],对苯二胺对苯酚(1/2)[PDA。 2-对苯酚(II)],对苯二胺-2,6-二羟基萘(II)[PDA。 2,6-二羟基萘(III)],对苯二胺-1,6-己二醇(1/1)[PDA。 1,6-己二醇(IV)]和对苯二胺-对氯苯酚(1/2)。[PDA。 2对氯苯酚(V)]。当仅考虑羟基和胺基时,这些晶体具有两个明显不同的超分子氢键模式。此外,共价键交联连接这些氢键网络的方式也有所不同。比较了这些和其他已公开的饱和胺-醇晶体的氢键网络的图集,并提出了有关如何显示图集描述的建议,尤其是那些涉及相交链的无限二维和三维网络的图集描述。这些材料中大多数的特性。 [参考:20]

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