Related Experiment Video
Updated: Feb 22, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Crystal structure and DFT study of 2-(pyren-1-yl)-1H-benzimidazole
Md Serajul Haque Faizi1, Necmi Dege2, S Malinkin3
1Department of Chemistry, College of Science, Sultan Qaboos University, PO Box 36 Al-Khod 123, Muscat, Sultanate of Oman.
Abstract:
In the title compound, C23H14N2, (I), the dihedral angle between the mean planes of the pyrene and benzimidazole ring systems is 42.08 (5)°, with a bridging C-C bond length of 1.463 (3) Å. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming columns propagating along the b-axis direction. The columns are linked via C-H⋯π inter-actions, forming slabs parallel to the ab plane. There are no significant π-π inter-actions present in the crystal structure. The density functional theory (DFT) optimized structure, at the B3LYP/ 6-311G(d,p) level, is compared with the experimentally determined solid-state structure of the title compound.
More Related Videos
14:11Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
06:18Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
Related Concept Videos
Structure of Benzene: Molecular Orbital Model
Basicity of Heterocyclic Aromatic Amines
Structure of Benzene: Kekulé Model
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
Frost Circles for Different Conjugated Systems
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group...
Criteria for Aromaticity and the Hückel 4n + 2 Rule
For the first time, Eric Hückel, a German chemical physicist, derived a set of structural features for a compound to be classified as aromatic. This is now known as Hückel’s rule or the 4n +...