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首页> 外文期刊>Crystal growth & design >Crystal Structures of S?Shaped Phenylenediurea Dibenzoic Acids and Their Cocrystals with Melamine: Unusual Zigzag Tape of H?Bonded Melamine Network
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Crystal Structures of S?Shaped Phenylenediurea Dibenzoic Acids and Their Cocrystals with Melamine: Unusual Zigzag Tape of H?Bonded Melamine Network

机译：S形苯撑二脲二苯甲酸及其与三聚氰胺的共晶体的晶体结构：H键结合的三聚氰胺网络的曲折带

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摘要

Phenylenediurea dibenzoic acid derivatives 1, 2, 3, and 5 and an amide derivative 4 were synthesized, and their molecular structures were elucidated to be an S-shape by single crystal X-ray analysis. Crystals of 1 were obtained as a DMF solvate, while those of 2 and 3 were not. Sheet and ladder structures were created in the crystal packing of 1 and 3, and 2, respectively. Unlike the para-substituted diureas 1?3 which possessed meso-conformation, the meta-substituted diurea 5 exhibited helical-conformation in its crystal structure. The way of crystal packing of 4 is analogous to that of the corresponding dicarboxylic acid derivative 2. A water cluster of a chair-shaped hexagonal array of water molecules was created in the crystal structure of 4. Diureas 1 and 2 gave cocrystals with melamine recrystallized from DMF/ethyl acetate and DMF/H_2O, respectively. Unusual zigzag tapes of a H-bonding network of melamine were created in both cocrystals. The zigzag tapes were connected with S-shaped diureas by H-bonding to furnish an interpenetrated fishnet-type crystal structure.
机译：合成了苯二脲二苯甲酸衍生物1、2、3和5以及酰胺衍生物4，并且通过单晶X射线分析将它们的分子结构阐明为S形。获得1的晶体作为DMF溶剂化物，而没有获得2和3的晶体。分别在1和3和2的晶体填充物中创建了薄片和梯子结构。与具有内消旋构象的对位取代的双脲1〜3不同，间取代的二脲5在其晶体结构中显示出螺旋构型。 4的晶体堆积方式类似于相应的二羧酸衍生物2的堆积方式。在4的晶体结构中形成了椅子状的水分子六边形阵列的水簇。双脲1和2产生了三聚氰胺重结晶的共晶体分别来自DMF /乙酸乙酯和DMF / H_2O。在两个共晶体中都产生了三聚氰胺的H键网络异常的曲折带。之字形带通过H键与S形双脲连接，以提供互穿的鱼网型晶体结构。

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