Weak hydrogen bonding .3. A benzyl group accepting equally strong hydrogen bonds from O-H and C-H donors: 5-ethynyl-5H-dibenzo[a,d]cyclohepten-5-ol

被引:57
作者
Steiner, T [1 ]
Starikov, EB [1 ]
Tamm, M [1 ]
机构
[1] FREE UNIV BERLIN,INST ANORGAN & ANALYT CHEM,D-14195 BERLIN,GERMANY
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1996年 / 01期
关键词
D O I
10.1039/p29960000067
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
In the crystal structure of the title compound, one of the benzyl groups accepts hydrogen bonds from a hydroxy and an ethynyl group, one to each face of the ring. For both hydrogen bonds, energies around -1.3 kcal mol(-1) have been calculated. The bond donated by the hydroxy group has unusual geometry and is directed almost linearly at a C atom with H...C = 2.36 Angstrom.
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页码:67 / 71
页数:5
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