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3,5,5,6,8,8-六甲基-5,6,7,8-四氢-2-萘甲酸（AHTN-COOH）。

3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-2-naphthoic acid (AHTN-COOH).

作者信息

Kuhlich Paul, Göstl Robert, Metzinger Ramona, Piechotta Christian, Nehls Irene

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2687. doi: 10.1107/S1600536810038572.

DOI:10.1107/S1600536810038572
PMID:21587655
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983290/
Abstract

The title compound, C(17)H(24)O(2), is the product of a haloform reaction of 6-acetyl-1,1,2,4,4,7-hexa-methyl-tetra-line (AHTN). The compound is a racemic mixture with a disorder in its aliphatic ring [occupany ratio 0.683 (4):0.317 (4)] due to two possible half-chair forms. The carb-oxy-lic acid unit is slightly twisted out of coplanarity with the aromatic system [dihedral angle = 29.26 (6)°]. In the crystal, pairs of short classical inter-molecular O-H⋯O hydrogen bonds link pairs of mol-ecules around a center of symmetry.

摘要

标题化合物C(17)H(24)O(2)是6-乙酰基-1,1,2,4,4,7-六甲基四氢化萘（AHTN）卤仿反应的产物。该化合物是一种外消旋混合物，由于两种可能的半椅形式，其脂肪族环存在无序性[占有率比为0.683 (4):0.317 (4)]。羧酸单元与芳香体系略微扭曲出共平面[二面角 = 29.26 (6)°]。在晶体中，成对的短经典分子间O-H⋯O氢键围绕对称中心连接分子对。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/29c38a117198/e-66-o2687-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/9acb76209d2c/e-66-o2687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/cffa0f7f4f77/e-66-o2687-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/a1190303659d/e-66-o2687-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/29c38a117198/e-66-o2687-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/9acb76209d2c/e-66-o2687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/cffa0f7f4f77/e-66-o2687-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/a1190303659d/e-66-o2687-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1138/2983290/29c38a117198/e-66-o2687-fig4.jpg

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