Molecular structures and biological activities of (N)-n-alkylammonium 2-chloro-3-oxido-1,4-naphthoquinone salts

作者：Choudhari Dinkar; Lande Dipali N; Bagade Aditi; Gejji Shridhar P; Chakravarty Debamitra; Kodam Kisan M; Salunke Gawali Sunita^*

来源：Journal of Molecular Structure, 2017, 1145: 309-320.

DOI：10.1016/j.molstruc.2017.05.083

• Lawsone
• Hydrogen bonding
• n-alkylamine
• Antiproliferative activity
• Hydroxynaphthoquinone

Single crystal X-ray structures and vibrational spectra of (N)-n-alkylammonium 2-chloro-3-oxido-1,4-naphthoquinone salts (alkyl = methyl to octyl, CS-1 to CS-8) possessing X-H center dot center dot center dot Y (X = N, C and Y=O, CI) hydrogen bonding and diverse noncovalent interactions have been characterized. Except for the CS-2 and CS-7 rest of the compounds facilitate pi center dot center dot center dot pi and Cl center dot center dot center dot pi interactions. The compound CS-3 showed the presence of Cl center dot center dot center dot O interactions. Electronic structure and spectral characteristics of obtained are in consonance with the density functional theory. These complexes showed remarkable antiproliferative and antifungal activities.

• 出版日期2017-10-5