首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(24-di­methyl­phen­yl)-4-(4-meth­oxy­phen­yl)naphthalene
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Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(24-di­methyl­phen­yl)-4-(4-meth­oxy­phen­yl)naphthalene

机译:1-(24-二­甲基­基)-4-(4-甲基­氧基苯­基)萘的晶体结构和Hirshfeld表面分析及能构架

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摘要

In the title compound, C25H22O, the two rings of the naphthalene system are inclined to each other by 3.06 (15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24 (12)° with the di­methyl­phenyl ring and 55.82 (12)° with the meth­oxy­phenyl ring. The di­methyl­phenyl ring is inclined to the meth­oxy­phenyl ring by 59.28 (14)°. In the crystal, adjacent mol­ecules are linked via C—H⋯π inter­actions, forming chains along [100]. Using Hirshfeld surface and two-dimensional fingerprint plots, the presence of short inter­molecular inter­actions in the crystal structure were analysed. The inter­molecular inter­action energies were also calculated and their distribution over the crystal structure was visualized graphically using energy frameworks.
机译:在标题化合物C25H22O中,萘体系的两个环彼此倾斜3.06°(15)°。萘环体系的平均平面与二­甲基­苯环的二面角为65.24(12)°,与the氧基­苯基环的二面角为55.82(12)°。二­甲基­苯环相对于烷氧基­苯环倾斜59.28(14)°。在晶体中,相邻分子通过CH-π相互作用连接,形成沿[100]的链。使用Hirshfeld表面和二维指纹图,分析了晶体结构中短分子间相互作用的存在。还计算了分子间相互作用能,并使用能量框架以图形方式显示了它们在晶体结构上的分布。

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