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1-（5,7-二羟基-2,2-二甲基苯并二氢吡喃-6-基）乙酮

1-(5,7-Dihy-droxy-2,2-dimethylchroman-6-yl)ethanone.

作者信息

Akerman Matthew P, Mkhize Zimbili, van Heerden Fanie R

机构信息

School of Chemistry, University of KwaZulu-Natal, Private Bag X01, Scottsville, 3209, Pietermaritzburg, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3412. doi: 10.1107/S1600536811047982. Epub 2011 Nov 23.

DOI:10.1107/S1600536811047982
PMID:22199897
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239049/
Abstract

In the title mol-ecule, C(13)H(16)O(4), the pyran ring is in a half-chair conformation. There is an intra-molecular hydrogen bond involving the ketone O atom and an H atom of a phenol group which forms an S(6) ring. The ketone O atom is also involved in an inter-molecular hydrogen bond with a different phenolic H atom of a symmetry-related mol-ecule, forming C(6) chains along the c-axis direction.

摘要

在标题分子C₁₃H₁₆O₄中，吡喃环呈半椅式构象。存在一个分子内氢键，涉及酮O原子和酚羟基的一个H原子，形成一个S(6)环。酮O原子还与一个对称相关分子的不同酚羟基H原子形成分子间氢键，沿c轴方向形成C(6)链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/379c/3239049/b1492b7fdd1c/e-67-o3412-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/379c/3239049/1c3be8994473/e-67-o3412-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/379c/3239049/b1492b7fdd1c/e-67-o3412-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/379c/3239049/1c3be8994473/e-67-o3412-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/379c/3239049/b1492b7fdd1c/e-67-o3412-fig2.jpg

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