Polymorphism in solvate crystals of indantrione 1,2-dioxime

Suzuki M.; Kobayashi K.

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Polymorphism in solvate crystals of indantrione 1,2-dioxime

机译：茚满三酮1,2-二肟的溶剂化物晶体中的多态性

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Indantrione 1,2-dioxime (1) afforded crystals solvated by different species of alcohols and in different stoichiometries. Among those, three pairs of polymorphic forms, which are of the same solvent and stoichiometry, were obtained. The crystal structures of those polymorphs, formulated as α-and β-1 · MeOH, α-and β-1 · 1/2MeOH, and α-and β-1 · EtOH, were elucidated along with that of 1 · i-PrOH. The common building block in the crystal structures is a centrosymmetric planar dimer linked by bifurcated hydrogen bonding. The dimer is further assembled through alcohol molecules to form tapelike linear chains. The difference in crystal structure between all pairs of the polymorphs is principally attributed to a distinct hydrogen bonding motif between the dimer and solvated alcohol molecules. Carbonyl-carbonyl interaction is also recognized to play a role in molecular alignment in most cases; the carbonyl groups of neighboring molecules are in close contact and have an all-planar antiparallel arrangement.

机译：茚满三酮1,2-二肟（1）提供的晶体被不同种类的醇和不同的化学计量比溶解。其中，获得了三对具有相同溶剂和化学计量的多晶型物。阐明了这些多晶型物的晶体结构，包括α-和β-1·MeOH，α-和β-1·1 / 2MeOH，α-和β-1·EtOH，以及1·i-PrOH。。晶体结构中常见的构件是通过分叉氢键连接的中心对称平面二聚体。二聚体通过醇分子进一步组装以形成带状线性链。所有多晶型对之间的晶体结构差异主要归因于二聚体和溶剂化醇分子之间的独特氢键基序。在大多数情况下，羰基-羰基相互作用也被认为在分子排列中起作用。相邻分子的羰基紧密接触，呈全平面反平行排列。

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《Crystal growth & design》 |2011年第5期|共7页
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Suzuki M.; Kobayashi K.;
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Polymorphism in solvate crystals of indantrione 1,2-dioxime

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