A comparative study of two novel unsymmetrically substituted triazacyclohexanes

Lamraoui, Hanane; Messai, Amel; Bilge, Duygu; Bilge, Metin; Bouchemma, Ahcene; Parlak, Cemal

doi:10.1016/j.molstruc.2017.02.092

Journal of Molecular Structure

2017

DOI: 10.1016/j.molstruc.2017.02.092

|View full text |Cite

A comparative study of two novel unsymmetrically substituted triazacyclohexanes

Hanane Lamraoui

Amel Messai

Duygu Bilge

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2020

2023

Publication Types

Select...

Article3

Relationship

Self Cite1

Independent2

Authors

Journals

Cited by 3 publications

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Lamraoui,

Zegheb,

Benmekhbi

et al. 2023

ChemistrySelect

Self Cite

View full text Add to dashboard Cite

A new compound, 1,3‐bis(4‐chlorophenyl)‐5‐(4‐chlorobenzyl)‐1,3,5‐triazinane, C22H20Cl3N3 (I), was synthesized, and its structure was determined by X‐ray diffraction, along with various spectroscopic methods, UV‐VIS, FT‐IR, NMR 1H and 13C. The crystal belongs to the monoclinic system with a=7.1503 (5) Å; b=12.9506(10) Å; c=21.9709 (16) Å; β=96.637(2)° and space group P21/c. Hirshfeld surface analysis and two‐dimensional fingerprint plots were used to quantify the interatomic interactions present in the crystal. The molecular structure of (I) was determined by DFT calculations using the BP86‐D functional and a TZP basis set. The geometry optimizations and vibrational frequencies were calculated, and Natural atomic orbital charges were investigated using NBO 6.0 program.

show abstract

Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Lamraoui,

Zegheb,

Benmekhbi

et al. 2023

ChemistrySelect

Self Cite

View full text Add to dashboard Cite

show abstract

Synthesis, characterization, Hirshfeld surface analysis, DFT calculations and antibacterial activity evaluation of a new unsymmetrically substituted 1,3,5-triazacyclohexane

Hadjam

Bouchene

Zaboub

et al. 2022

Journal of Molecular Structure

View full text Add to dashboard Cite

Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group

et al. 2020

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

A comparative study of two novel unsymmetrically substituted triazacyclohexanes

Cited by 3 publications

References 15 publications

Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Synthesis, characterization, Hirshfeld surface analysis, DFT calculations and antibacterial activity evaluation of a new unsymmetrically substituted 1,3,5-triazacyclohexane

Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group

Contact Info

Product

Resources

About