Jailbreaking benzene dimers.

Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene

Benzene-pyridine interactions predicted by the effective fragment potential method.

The accurate representation of nitrogen-containing heterocycles is essential for modeling biological systems. In this study, the general effective fragment potential (EFP2) method is used to model dimers of benzene and pyridine, complexes for which high-level theoretical data -including large basis spin-component-scaled second-order perturbation theory (SCS-MP2), symmetry-adapted perturbation t...

4-(4-Nitro­benz­yl)pyridine

The title compound, C12H10N2O2, has a twisted conformation, with a dihedral angle between the planes of the pyridine and benzene rings of 78.4 (2)°. The nitro group is coplanar with the attached benzene ring within experimental error. The mol-ecules form centrosymmetric dimers via Car-H⋯O inter-actions (H⋯O = 2.49 Å) and the dimers are π-stacked along the b axis [the separation between ring cen...

2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan

In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro-phenyl ring is 39.78 (7)°. In the crystal, mol-ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π-π inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.821 (2) Å] into inversion ...

2-(4-Meth­oxy­phen­yl)-1-pentyl-4,5-di­phenyl-1H-imidazole

The title compound, C27H28N2O, is a lophine (2,4,5-triphenyl-1H-imidazole) derivative with an n-pentyl chain on the amine N atom and a 4-meth-oxy substituent on the benzene ring. The two phenyl and meth-oxy-benzene rings are inclined to the imidazole ring at angles of 25.32 (7), 76.79 (5) and 35.42 (7)°, respectively, while the meth-oxy substituent lies close to the plane of its benzene ring, w...