2-甲基-2-(4-甲基苯甲酰基)丙酸叔丁酯
tert-Butyl 2-methyl-2-(4-methyl-benzo-yl)propanoate.
作者信息
Gould Graham B, Jackman Brock G, Logue Marshall W, Luck Rudy L, Pignotti Louis R, Smith Adrian R, White Nicholas M
机构信息
Department of Chemistry, 1400 Townsend Drive, Michigan Technological University, Houghton, MI 49931, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o491-2. doi: 10.1107/S1600536810003144.
The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, the mol-ecules are linked into infinite chains held together by weak C-H⋯O hydrogen-bonded inter-actions between an H atom on the benzene ring of one mol-ecule and an O atom on the ketone functionality of an adjacent mol-ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro-phobic stacking, with short C-H⋯H-C contacts (2.37 Å) between adjacent chains.
标题化合物C(16)H(22)O(3)呈弯曲状，苯环的平均平面与包含酯官能团（O=C-O-C）的基团之间的二面角为75.3 (1)°。在晶体中，分子通过弱C-H⋯O氢键相互作用连接成无限链，一个分子苯环上的H原子与相邻分子酮官能团上的O原子之间存在这种相互作用。这些链的排列方式使得相邻链上的叔丁基和二甲基基团呈现疏水堆积，相邻链之间存在短的C-H⋯H-C接触（2.37 Å）。
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