首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(1S*4′S*5R*)-1-Isopropyl-5-meth­oxy-2′3-dimethyl-46-dioxa-2-aza­spiro­bicyclo­3.2.0hept-2-ene-74′-isoquinoline-1′3′(2′H4′H)-dione
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(1S*4′S*5R*)-1-Isopropyl-5-meth­oxy-2′3-dimethyl-46-dioxa-2-aza­spiro­bicyclo­3.2.0hept-2-ene-74′-isoquinoline-1′3′(2′H4′H)-dione

机译:(1S *4S *5R *)-1-异丙基-5-甲氧基-23-二甲基-46-二氧杂-2-氮杂螺双环3.2.0庚-2-烯- 74-异喹啉 -13(2H4H)-二酮

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摘要

In the isoquinoline ring system of the title mol­ecule, C18H20N2O5, the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza­spiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The mol­ecular structure is stabilized by a weak intra­molecular C—H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol­ecules are linked via weak inter­molecular C—H⋯O hydrogen bonds into a three-dimensional supra­molecular network. Additional stabilization is provided by π–π stacking inter­actions between symmetry-related benzene rings with a centroid–centroid distance of 3.6507 (5) Å.
机译:在标题分子C18H20N2O5的异喹啉环系统中,N-杂环呈半舟状。 dioxa-2-氮杂螺环基本上是平面的,最大偏差为0.029(1)Å,与苯环的二面角为30.63(5)°。分子结构通过弱的分子内C-H = O氢键稳定,该氢键生成S(6)环基序。在晶体中,分子通过弱分子间的CHHO氢键连接成三维超分子网络。质心间距离为3.6507(5)­Å的对称相关苯环之间的π-π堆积相互作用提供了额外的稳定性。

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