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2 -(2 - 羟基 - 3 - 甲氧基 - 苯基)- 6H - 嘧啶并[5,4 - b]喹啉 - 6 - 酮

2-(2-Hy-droxy-3-meth-oxy-phen-yl)-6H-perimidin-6-one.

作者信息

Fun Hoong-Kun, Chanawanno Kullapa, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o715-6. doi: 10.1107/S1600536811006465.

Abstract

The mol-ecule of the title perimidine derivative, C(18)H(12)N(2)O(3), is essentially planar, the dihedral angle between the benzene and perimidine rings being 3.25 (5)°. The hy-droxy and meth-oxy groups lie in the plane of the benzene ring to which they are bound [O-C-C-C = 179.96 (11)° and C-O-C-C = -177.96 (12)°]. An intra-molecular O-H⋯N inter-action generates an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of C-H⋯O inter-actions into dimers, which generate S(16) ring motifs. These dimers are arranged into sheets parallel to the ac plane and further stacked down the b axis by π-π inter-actions, with centroid-centroid distances in the range 3.5066 (8)-3.7241 (7) Å.

摘要

标题化合物嘧啶衍生物C(18)H(12)N(2)O(3)的分子基本呈平面状,苯环与嘧啶环之间的二面角为3.25 (5)°。羟基和甲氧基位于它们所连接的苯环平面内[O-C-C-C = 179.96 (11)°,C-O-C-C = -177.96 (12)°]。分子内的O-H⋯N相互作用形成了一个S(6)环模式。在晶体中,分子通过成对的C-H⋯O相互作用连接成二聚体,形成S(16)环模式。这些二聚体排列成平行于ac平面的片层,并通过π-π相互作用沿b轴进一步堆积,质心-质心距离在3.5066 (8)-3.7241 (7) Å范围内。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0906/3051947/a909b3d180b7/e-67-0o715-fig1.jpg

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