首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Diethyl 613-dioxo-571213b13c14-hexa­hydro-6H13H-5a6a12a13a-tetra­azabenz56azuleno218-ijabenzfazulene-13b13c-dicarboxyl­ate 12-dichloro­ethane solvate
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Diethyl 613-dioxo-571213b13c14-hexa­hydro-6H13H-5a6a12a13a-tetra­azabenz56azuleno218-ijabenzfazulene-13b13c-dicarboxyl­ate 12-dichloro­ethane solvate

机译:613-​​dioxo-571213b13c14-hexahydro-6H二乙基六乙基56 azuleno 218-ija benz f azulene-13b13c-二羧酸12-二氯乙烷溶剂化物

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摘要

In the title inclusion compound, C26H26N4O6·C2H4Cl2, the solvent mol­ecule occupies a cavity inside the clip-type mol­ecule which is based on the glycoluril skeleton with two ethyl acetate substituents on the convex face of the glycoluril system. The dihedral angle between the aromatic rings of the host is 43.59 (4)° and the centroid–centroid distance is 6.741 (5) Å. The 1,2-dichloro­etane mol­ecule adopts a gauche conformation enabling it to participate in C—H⋯π inter­actions with the host. The packing motif in the title compound differs from that observed in the crystal structures of the host and in the benzene solvate. The host mol­ecules are linked into tapes by π–π stacking inter­actions (centroid–centroid distance = 3.733 Å) and are further assembled into layers via C—H⋯O inter­actions. One of the ethyl groups is disorded over two positions with site-occupancy factors of 0.702 (14) and 0.298 (14).
机译:在标题夹杂化合物C26H26N4O6·C2H4Cl2中,溶剂分子在夹子型分子内部占据一个空腔,该空腔基于乙二醇尿素骨架,在乙二醇尿素系统的凸面上具有两个乙酸乙酯取代基。主体的芳环之间的二面角为43.59(4)°,质心-质心距离为6.741(5)Å。 1,2-二氯十六烷分子具有gauche构象,使其能够参与与主体的C-H⋯π相互作用。标题化合物中的堆积基序与主体的晶体结构和苯溶剂化物中观察到的不同。主体分子通过π-π堆积相互作用(质心-质心距离= 3.733Å)连接成带,并通过C-H⋯O相互作用进一步组装成层。乙基之一在两个位置上被解构,其位点占用因子分别为0.702(14)和0.298(14)。

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