Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole
Year: 2014
Type: article
Abstract: The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the -N=N- bond and have slightly twisted overall conformations. In mol-ecule A, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in mol-ecule B the two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent mol-ecules are linked to each other by C-H⋯O hydrogen bonds, forming -A-A-A- and -B-B-B- chains along [100]. The chains are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C-H⋯N hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.5243 (5) Å; involving the imidazole ring of mol-ecule A and the benzene ring of mol-ecule B], forming a three-dimensional framework structure.
Authors: Siddappa Patil, Alejandro Bugarin
Institution: The University of Texas at Arlington
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W2139298550