2-（2,7-二甲氧基-1-萘基）苯甲酸
2-(2,7-Dimeth-oxy-1-naphtho-yl)benzoic acid.
作者信息
Hijikata Daichi, Nakaema Kosuke, Watanabe Shoji, Okamoto Akiko, Yonezawa Noriyuki
机构信息
Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology, Koganei, Tokyo 184-8588, Japan.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 27;66(Pt 3):o713. doi: 10.1107/S1600536810006847.
In the title compound, C(20)H(16)O(5), the dihedral angle between the naphthalene ring system and the benzene ring is 67.43 (5)°. The bridging carbonyl C-C(=O)-C plane makes dihedral angles of 82.64 (6) and 41.79 (7)°, respectively, with the naphthalene ring system and the benzene ring. The dihedral angle between the carb-oxy O-C(=O)-C plane and the benzene ring is 36.38 (7)° and that between the bridging carbonyl C-C(=O)-C plane and the carb-oxy O-C(=O)-C plane is 51.88 (8)°. The crystal structure is stabilized by inter-molecular O-H⋯O and C-H⋯O hydrogen-bonding inter-actions. An intra-molecular C-H⋯O hydrogen bond occurs between a naphthalene H atom and the carbonyl O atom of the carb-oxy group.
在标题化合物C₂₀H₁₆O₅中，萘环体系与苯环之间的二面角为67.43 (5)°。桥连羰基C-C(=O)-C平面与萘环体系和苯环的二面角分别为82.64 (6)°和41.79 (7)°。羧基O-C(=O)-C平面与苯环的二面角为36.38 (7)°，桥连羰基C-C(=O)-C平面与羧基O-C(=O)-C平面的二面角为51.88 (8)°。晶体结构通过分子间O-H⋯O和C-H⋯O氢键相互作用得以稳定。在萘环的一个H原子与羧基的羰基O原子之间存在分子内C-H⋯O氢键。
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