The structure of melamine, C ₃ N ₆ H ₆

Abstract

Magnetic and X-ray measurements on crystalline melamine, C3X6H6, indicate that the molecular formula is of the amide type, based on the cyanuric ring, but that weak hydrogen bridges exist between the NH 2 groups of one molecule and the ring nitrogens of others, so that the substance may also tend to behave as an imide. The density is 1-571, the space group P 2Ja, and there are four molecules in the unit cell. An approximate structure is given. New optical data confirm that this structure is of a layer tj'pe, in wdiich respect it is similar to all other cyanuric ring compounds so far examined.

Theoretical study of melamine superstructures and their interaction with the Au(111) surface

“…The non-planar structure is slightly more favourable; however, the energy difference is within the precision of DFT. The two configurations are possible because the melamine molecule is not planar in the bulk [26] and in the gas phase. As found in [26] and confirmed by our calculations, the hydrogens atoms 1, and both are probable; the planar structure is also in agreement with previous calculations [8,9].…”

“…The two configurations are possible because the melamine molecule is not planar in the bulk [26] and in the gas phase. As found in [26] and confirmed by our calculations, the hydrogens atoms 1, and both are probable; the planar structure is also in agreement with previous calculations [8,9]. Since the planar structure is more likely to be realized on the surface, the following analysis will focus on the planar dimer only.…”