Crystal structure and Hirshfeld surface analysis of a supra-molecular aggregate of 4-formyl-<i>N</i>,<i>N</i>-di-methyl-anilinium bromide with tetra-bromomethane.

ABSTRACT: The title compound, C₉H₁₂NO⁺·Br^-·CBr₄, consists of one 4-formyl-N,N-di-methyl-benzenaminium bromide and a tetra-bromo-methane mol-ecule. In the crystal, the bromide ions link 4-formyl-N,N-di-methyl-benzenaminium moieties through inter-molecular C-H⋯Br and N-H⋯Br hydrogen bonds, while inter-molecular C-H⋯O hydrogen bonds link 4-formyl-N,N-di-methyl-benzenaminium cations, enclosing R ² ₂(18) ring motifs, into a di-periodic network structure. The tetra-bromo-methane mol-ecules fill the spaces between the layers. Neither π-π nor C-H⋯π(ring) inter-actions are observed. A Hirshfeld surface analysis of the crystal structure indicates that the most abundant contacts contributing to the crystal packing are from H⋯Br/Br⋯H (56.0%), Br⋯Br (12.1%), H⋯O/O⋯H (9.7%) and H⋯H (9.5%) inter-actions.

SUBMITTER: Gurbanov AV 

PROVIDER: S-EPMC12412705 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature