Crystal structure and Hirshfeld surface analysis of a supramolecular aggregate of 4-formyl-N,Ndimethylanilinium bromide with tetrabromomethane

The title compound, C9H12NO+·Br−·CBr4, consists of one 4-formyl-N,N-dimethylbenzenaminium bromide and a tetrabromomethane molecule. In the crystal, the bromide ions link 4-formyl-N,N-dimethylbenzenaminium moieties through intermolecular C—H⋯Br and N—H⋯Br hydrogen bonds, while intermolecular C—H⋯O hydrogen bonds link 4-formyl-N,N-dimethylbenzenaminium cations, enclosing R22(18) ring motifs, into a di-periodic network structure. The tetrabromomethane molecules fill the spaces between the layers. Neither π–π nor C—H⋯π(ring) interactions 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%) interactions.

Publication Details

Journal
Khazar University Institutional Repository (Khazar University)
Published
2025-09-01
Primary Topic
Crystal structures of chemical compounds
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Crystal structure and Hirshfeld surface analysis of a supramolecular aggregate of 4-formyl-N,Ndimethylanilinium bromide with tetrabromomethane

Khazar University Institutional Repository (Khazar University)
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of a supramolecular aggregate of 4-formyl-N,Ndimethylanilinium bromide with tetrabromomethane

article en

Abstract

The title compound, C9H12NO+·Br−·CBr4, consists of one 4-formyl-N,N-dimethylbenzenaminium bromide and a tetrabromomethane molecule. In the crystal, the bromide ions link 4-formyl-N,N-dimethylbenzenaminium moieties through intermolecular C—H⋯Br and N—H⋯Br hydrogen bonds, while intermolecular C—H⋯O hydrogen bonds link 4-formyl-N,N-dimethylbenzenaminium cations, enclosing R22(18) ring motifs, into a di-periodic network structure. The tetrabromomethane molecules fill the spaces between the layers. Neither π–π nor C—H⋯π(ring) interactions 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%) interactions.

Khazar University Institutional Repository (Khazar University)
Openalex Percentile: Top 46%
Crystal structures of chemical compounds
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.