Embedding 1,6-Diphenyl-1,2-Dihydronaphthalene (DHN) in
Arene-Arene Interactions in a "Crossed Bis-Diarene"
Yongqiang Sui and Rainer Glaser
Department of Chemistry,
University of Missouri-Columbia,
Columbia, Missouri, 65211 (USA)
is required for the display of the pdb files of the following
Layer in crystal of (±)-I viewed in
the direction of the long molecular axes.
Pair interactions in crystals of (±)-I. The R-enantiomer
surrounded by two R- and two S-enantiomers. Perspectives
in the left and right columns are as in Figures 3 and 4, respectively.
Pair 1 and
pair 2 are enantiomeric
dimers of the same enantiomer while
pair 3 and
pair 4 are
diastereoisomeric dimers of opposite enantiomers.
Space filling models of pairs 3 and 4.
The models on the left show (D, E)-pairs, they are
oriented just like the side views in Figure 5, and they show that arenes
D are coplanar in
and that arenes E also are nearly in the same plane in
The models on the right show one of two identical
(A, D, E)-triples involving
The only significant intrastack interaction is an "arene-biphenyl"
interaction. This interaction involves one T-contact between arenes
D and E as well as one TH-contact between the
same arene D and the arene A attached to arene E.
Each molecule is involved in two such (A, D, E)
The image on the left emphasizes the
(D, E) T-contact and
image on the right shows the
(A, D, E)