首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >C—I⋯N short contacts as tools for the construction of the crystal packing in the crystal structure of 33′-(ethane-12-di­yl)bis­(6-iodo-34-di­hydro-2H-13-benzoxazine)
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C—I⋯N short contacts as tools for the construction of the crystal packing in the crystal structure of 33′-(ethane-12-di­yl)bis­(6-iodo-34-di­hydro-2H-13-benzoxazine)

机译:C-I⋯N短触点作为构造33-(乙烷-12-二基)双(6-碘-34-二氢-2H-1)晶体结构中晶体堆积的工具3-苯并恶嗪)

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摘要

The asymmetric unit of the title compound, C18H18I2N2O2, consists of one half-mol­ecule, completed by the application of inversion symmetry. The mol­ecule adopts the typical structure for this class of bis-benxozazines, characterized by an anti orientation of the two benzoxazine rings around the central C—C bond. The oxazinic ring adopts a half-chair conformation. In the crystal, mol­ecules are linked by C—I⋯N short contacts [I⋯N = 3.378 (2) Å], generating layers lying parallel to the bc plane.
机译:标题化合物C18H18I2N2O2的不对称单元由一个半分子组成,通过应用反对称性完成。该分子采用此类双联苯并恶嗪的典型结构,其特征是围绕中心CC键的两个苯并恶嗪环具有反取向。恶嗪环采用半椅构型。在晶体中,分子通过C–I⋯N短触点[I⋯N = 3.378(2)Å]连接,生成平行于bc平面的层。

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