[(1R,3S)-6,7-二甲氧基-1-苯基-1,2,3,4-四氢异喹啉-3-基]甲醇2.33水合物
[(1R,3S)-6,7-Dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl]methanol 2.33-hydrate.
作者信息
Chakka Sai Kumar, McKay Michael G, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 23;67(Pt 3):o700. doi: 10.1107/S1600536811006052.
Abstract
The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29 (13)°. There are three ill-resolved water molecules of crystallization in the structure (one of them rotationally disordered about a threefold axis) involved in short contacts probably due to hydrogen bonding.
摘要
标题化合物C(18)H(21)NO(3)·2.33H(2)O是一系列用作催化配体（或其前体）的(1R,3S)-6,7-二甲氧基-1-苯基-1,2,3,4-四氢异喹啉衍生物中报道的第四个成员。结构中的N-杂环呈半椅构象。苯环之间的二面角为77.29 (13)°。结构中有三个结晶水分子解析度较差（其中一个围绕三重轴旋转无序），可能由于氢键作用而参与短程接触。
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