Intermolecular interactions in the crystal structure of bis (4-methylcyclohexylammonium)‎ tetrabromocuprate (II)‎

Abstract EN

The crystal structure of (4-methylcyclohexylammonium) 2 [CuBr4], 1, belongs to the monoclinic system, space group P21 / n with cell constants a = 8.1687(2) Ǻ, b = 12.1569(3) Ǻ, c = (3) 22.3921 Ǻ, β = 94.8290(10), Z = 4.

The structure was solved by direct methods and refined to R = 0.0685 (wR2 = 0.1287).

The structure analysis reveals that the Cu (II) has an intermediate geometry between regular tetrahedral (Td) and square planar (D4h).

In the crystal structure of 1, the captions and anions are arranged in alternating stacks.

The stacks are connected via classical hydrogen bonding of cationic NH3+ groups and Br−of CuBr4 2- into a supramolecular architecture parallel to an axis.

The absence of other interactions [(π) C―H…Br, π…π allow segregation of cation and anion stacks into distinct polar and non-polar regions.