Abstract Crystallographic measurements as well as AMPAC and INDO/S calculations were performed on 2-phenyl-3, 3-dimethyl-3H-indole (1). This fluorescent molecular probe was shown to dimerize in the solid and the X-ray structure shows that the dimer consists of two monomers linked by covalent bonds between the nitrogen atom (N1) of one molecule to the carbon atom C2 of the other molecule, and vice versa, thus forming a four-membered ring. ...
