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.

引用

页码：67 / 71

页数：5

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