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5-羟基-8,8-二甲基-10-(2-甲基丁-3-烯-2-基)-2H,6H-7,8-二氢吡喃并[3,2-g]色烯-2,6-二酮

5-Hy-droxy-8,8-dimethyl-10-(2-methyl-but-3-en-2-yl)-2H,6H-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione.

作者信息

Fun Hoong-Kun, Sripisut Tawanun, Laphookhieo Surat, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o422-3. doi: 10.1107/S1600536811001565.

DOI:10.1107/S1600536811001565
PMID:21523091
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051790/
Abstract

In the title compound, C(19)H(20)O(5), the pyran ring is in an envelope conformation, whereas the benzene and dihydro-pyran ring system is planar with an r.m.s. deviation of 0.0190 (1) Å. The hy-droxy group is coplanar with the attached benzene ring [r.m.s. deviation = 0.0106 (1) Å]. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into chains along the b axis by weak C-H⋯O inter-actions. These chains are stacked along the a axis. C-H⋯π and weak π-π inter-actions [centroid-centroid distance = 3.7698 (7) Å] are also observed.

摘要

在标题化合物C₁₉H₂₀O₅中,吡喃环呈信封式构象,而苯环和二氢吡喃环体系是平面的,均方根偏差为0.0190 (1) Å。羟基与相连的苯环共平面[均方根偏差 = 0.0106 (1) Å]。分子内O—H⋯O氢键形成一个S(6)环模式。在晶体中,分子通过弱C—H⋯O相互作用沿b轴连接成链。这些链沿a轴堆积。还观察到C—H⋯π和弱π-π相互作用[质心-质心距离 = 3.7698 (7) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ebec/3051790/cdbc2015c848/e-67-0o422-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ebec/3051790/f15ce0c2739f/e-67-0o422-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ebec/3051790/cdbc2015c848/e-67-0o422-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ebec/3051790/f15ce0c2739f/e-67-0o422-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ebec/3051790/cdbc2015c848/e-67-0o422-fig2.jpg

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