DFT calculations reveal that the pyrazine ring is almost coplanar with the TTF plane, which is beneficial to the donor and acceptor electronic communication.
The pyrazine ring and carbohydrazide system are almost coplanar, with calculated dihedral angles between mean planes of 9.63o and 9.35o for compounds 4d and 4j, respectively, and these groups are also coplanar with respect to central phenyl ring.
In contrast, the first carbon atom (C22) of the imipenem (iminomethyl)aminoethyl tail is almost coplanar with the pyrroline ring, an orientation facilitated by the absence of the methyl.
The arrangement of the 10 bis-His-ligated hemes is like a "staggered cross" where four hemes (I, II, VI, VII) are almost coplanar with each other and are almost perpendicular to a group of three hemes (III, IV, V and VIII, IX, X) that are parallel to each other.
The methylphenyl and trifluoromethylphenyl rings are almost coplanar and have a 90° interplanar angle with the (imidazo[1,2- b]pyridazine) bicyclic aromatic ring.
In this molecule, the benzene ring and the oxoacetic acid side-chain are almost coplanar (CSD-Code CMPHAA) [10].
The locations of the ground stations are almost coplanar, which causes the geometry of the test situation to be such that most of the position error is in the altitude dimension.
Therefore, the rings are almost coplanar and eclipsed, which is close to the predicted equilibrium structure of the metallocene.
64.9(10)°) and thereby breaks the effective conjugation between the phosphole moiety and the phosphaalkene in 8. Again, the pyridine fragment is almost coplanar to the phosphole unit (9.7(10)°).
The C6F5 groups are almost coplanar [7.41 7)°] suggesting that π-stacking may govern the relative orientation of the two phosphane ligands.
