巴比妥酸 N-单取代衍生物中的氢键基序：5-烯丙基-5-异丙基-1-甲基巴比妥酸（烯丙基丙二巴比妥）和 1,5-二（丁-2-烯基）-5-乙基巴比妥酸。
Hydrogen-bond motifs in N-monosubstituted derivatives of barbituric acid: 5-allyl-5-isopropyl-1-methylbarbituric acid (enallylpropymal) and 1,5-di(but-2-enyl)-5-ethylbarbituric acid.
作者信息
Gelbrich Thomas, Zencirci Neslihan, Griesser Ulrich J
机构信息
Institut für Pharmazie, Universität Innsbruck, Innrain 52, 6020 Innsbruck, Austria.
出版信息
Acta Crystallogr C. 2010 Jan;66(Pt 1):o55-8. doi: 10.1107/S0108270109054249. Epub 2009 Dec 24.
Both title structures exhibit essentially planar barbiturate rings. The crystal structure of enallylpropymal (5-allyl-5-isopropyl-1-methylbarbituric acid), C(11)H(16)N(2)O(3), is composed of centrosymmetric N-H...O hydrogen-bonded dimers, while 1,5-di(but-2-enyl)-5-ethylbarbituric acid, C(14)H(20)N(2)O(3), forms N-H...O hydrogen-bonded helical chains. Each of the ten known crystal structures of closely related N-monosubstituted derivatives of barbituric acid displays one of the fundamental N-H...O hydrogen-bonded motifs of the two title structures, i.e. either a dimer or a chain.
两种标题结构都呈现出基本平面的巴比妥酸环。烯丙基丙巴比妥（5-烯丙基-5-异丙基-1-甲基巴比妥酸），C(11)H(16)N(2)O(3)，其晶体结构由中心对称的N-H...O氢键连接的二聚体组成，而1,5-二（丁-2-烯基）-5-乙基巴比妥酸，C(14)H(20)N(2)O(3)，形成N-H...O氢键连接的螺旋链。巴比妥酸的十种已知密切相关的N-单取代衍生物的晶体结构中的每一种都展示了两种标题结构中基本的N-H...O氢键基序之一，即二聚体或链。
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