Fun Hoong-Kun, Quah Ching Kheng, Huang Chengmei, Yu Haitao
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1311-2. doi: 10.1107/S160053681101600X. Epub 2011 May 7.
In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.026 (1) Å] and forms dihedral angles of 22.53 (5) and 64.46 (5)° with the benzene and phenyl rings, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates an S(7) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds into layers parallel to (102).
在标题分子C(22)H(20)N(2)O(5)的异喹啉环系统中,N-杂环呈半船式构象。二氧杂-2-氮杂螺环基本呈平面状[最大偏差 = 0.026 (1) Å],分别与苯环和苯基环形成22.53 (5)°和64.46 (5)°的二面角。分子结构通过一个弱的分子内C-H⋯O氢键得以稳定,该氢键形成一个S(7)环模式。在晶体中,分子通过弱的分子间C-H⋯O和C-H⋯N氢键连接成平行于(102)的层。