The Crystal Structure of 1, 6-Dimethoxy Phenazine

• Published in: Bulletin of the Chemical Society of Japan Vol. 40; no. 3; pp. 491 - 494
• Main Authors: Yaji, Hiroshi, Higuchi, Taiichi, Shimada, Akira, Namba, Yoshiyuki, Oda, Tsutomu
• Format: Journal Article
• Language: English
• Published: Tokyo Chemical Society of Japan 01.03.1967
• ISSN: 0009-2673; 1348-0634
• DOI: 10.1246/bcsj.40.491

Abstract The crystal structure of 1, 6-dimethoxy phenazine was solved by the method of the molecular Fourier transform, and a refinement based on the two-dimensional data was achieved by the Fourier method and also by the least-squares method. The space group is P21/n with two molecules in the unit cell. The lattice constants are a=8.60 Å, b=12.59 Å, c=5.17 Å, and β=93.5°. The molecule has an exact center of symmetry and lies approximately on a plane, with the exception of the methyl groups, which are 0.21 Å outside the plane of the molecule. As for the phenazine ring, almost all the bond distances and angles exhibit normal values. The bond distances around the oxygen atom seem to indicate that the lone-pair electrons in this atom flow into the π-electron system of a phenazine ring. The planar molecules are stacked parallel to each other along the c axis, with an inter-planar spacing of 3.41 Å.