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One-dimensional arrangement of NORIA in the solid-state
CrystEngComm ( IF 2.6 ) Pub Date : 2020-06-26 , DOI: 10.1039/d0ce00650e Daisuke Shimoyama 1, 2, 3, 4, 5 , Ryo Sekiya 1, 2, 3, 4, 5 , Hiroyuki Maekawa 6, 7, 8, 9, 10 , Hiroto Kudo 6, 7, 8, 9, 10 , Takeharu Haino 1, 2, 3, 4, 5
CrystEngComm ( IF 2.6 ) Pub Date : 2020-06-26 , DOI: 10.1039/d0ce00650e Daisuke Shimoyama 1, 2, 3, 4, 5 , Ryo Sekiya 1, 2, 3, 4, 5 , Hiroyuki Maekawa 6, 7, 8, 9, 10 , Hiroto Kudo 6, 7, 8, 9, 10 , Takeharu Haino 1, 2, 3, 4, 5
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NORIA is a synthetic macrocycle consisting of twelve resorcinol rings. The hydroxy groups surrounding the surface of NORIA make it difficult for NORIA to be dissolved in organic solvents, except for polar solvents, a property which is ideal for developing solid-state materials. For developing solid-state materials, information about the effect of the crystallization conditions on the crystal packing of NORIA is required, although only limited examples have been reported so far. We find that the crystal packing of NORIA depends heavily on the crystallization conditions. Single crystals are grown in DMF solutions by the slow diffusion of pentane, cyclohexane, methylcyclohexane, benzene, and toluene into the solution. X-ray diffraction analysis demonstrates that the saturated hydrocarbon vapors induce the molecules to organize into a triclinic crystal packing, whereas another crystal packing, wherein NORIA is arranged linearly in the hexagonal crystal, is formed in the case of aromatic vapors. In the five crystals, DMF molecules are trapped by NORIA and interact with neighboring hosts through hydrogen bonding, indicating that the DMF molecules function as linkers. The X-ray crystal structures suggest that the planarity of the guests is a factor behind the formation of the hexagonal crystal packing. Electron density maps and the solvent accessible surface of NORIA suggest that small molecules, such as water, can access the cavity. The large solvent-accessible volumes in the unit cells of both crystal packings demonstrate that NORIA functions as an excellent building block for lattice inclusion compounds.
中文翻译：
固态中NORIA的一维排列
NORIA是由十二个间苯二酚环组成的合成大环。NORIA表面周围的羟基使NORIA难以溶解在有机溶剂中，极性溶剂除外，这是开发固态材料的理想属性。对于开发固态材料，需要有关结晶条件对NORIA晶体堆积影响的信息，尽管到目前为止仅报道了有限的例子。我们发现NORIA的晶体堆积在很大程度上取决于结晶条件。通过将戊烷，环己烷，甲基环己烷，苯和甲苯缓慢扩散到溶液中，在DMF溶液中生长单晶。X射线衍射分析表明，饱和烃蒸气使分子组织成三斜晶晶体堆积，而在芳族蒸气的情况下，形成了另一种晶体堆积，其中NORIA线性排列在六角形晶体中。在这五个晶体中，DMF分子被NORIA捕获，并通过氢键与相邻的主体相互作用，表明DMF分子起着连接子的作用。X射线晶体结构表明，客体的平面性是形成六角形晶体堆积的背后因素。电子密度图和NORIA的溶剂可及表面表明，小分子（例如水）可以进入空腔。
更新日期：2020-07-20
中文翻译：
固态中NORIA的一维排列
NORIA是由十二个间苯二酚环组成的合成大环。NORIA表面周围的羟基使NORIA难以溶解在有机溶剂中，极性溶剂除外，这是开发固态材料的理想属性。对于开发固态材料，需要有关结晶条件对NORIA晶体堆积影响的信息，尽管到目前为止仅报道了有限的例子。我们发现NORIA的晶体堆积在很大程度上取决于结晶条件。通过将戊烷，环己烷，甲基环己烷，苯和甲苯缓慢扩散到溶液中，在DMF溶液中生长单晶。X射线衍射分析表明，饱和烃蒸气使分子组织成三斜晶晶体堆积，而在芳族蒸气的情况下，形成了另一种晶体堆积，其中NORIA线性排列在六角形晶体中。在这五个晶体中，DMF分子被NORIA捕获，并通过氢键与相邻的主体相互作用，表明DMF分子起着连接子的作用。X射线晶体结构表明，客体的平面性是形成六角形晶体堆积的背后因素。电子密度图和NORIA的溶剂可及表面表明，小分子（例如水）可以进入空腔。
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