Molecular complexes. Part IX. Crystal and molecular structure of 2-methyl-3-N-methylanilinomethyl-1-4-naphthoquinone

Abstract

The three-dimensional crystal structure of 2-methyl-3-N-methylanilinomethyl-1-4-naphthoquinone has been determined by X-ray analysis using a symbolic addition process. The crystals are monoclinic, with a= 14·22 ± 0·02, b= 14·04 ± 0·02, c= 7·46 ± 0·02 Å, γ= 104·2 ± 0·2, and Z= 4, in space group P2₁/n. The molecule has π-donor and -acceptor groups, separated by a saturated linkage. In the crystal the molecules are packed to form stacks of alternate donor and acceptor groups, characteristic of molecular complexes. The charge-transfer bands found in the reflectance spectrum of the solid are believed to be due to simultaneous inter- and intra-molecular interactions.