(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid:: hydrogen bonding in two γ-keto acids

被引:1
|
作者
Barcon, A [1 ]
Brunskill, APJ [1 ]
Lalancette, RA [1 ]
Thompson, HW [1 ]
Miller, AJ [1 ]
机构
[1] Rutgers State Univ, Dept Chem, Carl A Olson Mem Labs, Newark, NJ 07102 USA
关键词
D O I
10.1107/S0108270100020783
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structure of (+/-)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (C11H10O3) involves projection of the carboxyl group nearly orthogonal to the aromatic plane and hydrogen bonding of the acid groups by centrosymmetric pairing across the a edge and the center of the chosen cell [O . . .O = 2.705 (2) Angstrom]. Intermolecular C-H . . .O=C close contacts to translationally related molecules are found for both the ketone (2.55 Angstrom) and the acid (2.67 Angstrom). In (+/-)-1-oxo-1,2,3,4-tetrahydronaphthalene-2-acetic acid (C12H12O3), the aggregation involves centrosymmetric carboxyl dimers mutually hydrogen bonded across the bc face and the a edge of the chosen cell [O . . .O = 2.674 (2) Angstrom]. A 2.60 Angstrom close C- H . . .O=C contact is found to the carboxyl group of centrosymmetrically related molecule.
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收藏
页码:325 / 328
页数:4
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