Beilstein J. Org. Chem.2008,4, No. 13, doi:10.3762/bjoc.4.13
carbon-oxygen bond may decrease by almost one tenth of an Å (Table 6).
A fluorine substituent can lead to a change in the preferred molecularconformation. For example, methoxybenzenes without ortho substituents favor a planar conformation. However, Roche researchers by searching trifluoromethoxybenzenes
Beilstein J. Org. Chem.2005,1, No. 16, doi:10.1186/1860-5397-1-16
isolated centrosymmetric molecules. The molecularconformation together with the atom labeling scheme is shown in Figure 4.
The overall conformation of the molecule is ellipsoidal with the approximate dimensions of 6.2 and 15.3 Å. All atoms of the molecule (except hydrogens) are within 2.16 Å of the mean
height of one sheet corresponds to the height of the macrocycle, i.e. about 12 Å.
The molecularconformation of 1-N-Me, atom labeling scheme indicated. Displacement parameters are drawn at 50% probability level.
The unit cell of 1-N-Me, stacks of molecules are indicated.
Formulas of macrocyclic amines, 1
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Graphical Abstract
Scheme 1:
Formulas of macrocyclic amines, 1: 1,5,9,18,22,26-hexaaza [11.11]-p-cyclophane and 2: 1,4,7,16,19,2...