Synthesis, Characterization, Structural Study, Hirshfeld Surface Analysis and Antibacterial Activity of a New Dithiophosphorus Compound with a P(S)(S)(N)(C) Skeleton

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Saadat Afshin; McArdle Patrick

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ISSN: 2588-4824

Journal Paper

Paper Information

Journal: Nashrieh Shimi va Mohandesi Shimi Iran Year:2023 | Volume:42 | Issue:1 Page(s): 73-82

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Information Journal Paper

Title

Synthesis, Characterization, Structural Study, Hirshfeld Surface Analysis and Antibacterial Activity of a New Dithiophosphorus Compound with a P(S)(S)(N)(C) Skeleton

Author(s)

Saadat Afshin | McArdle Patrick | Issue Writer Certificate

Keywords

DithiophosphorusQ4

Hydrogen bondingQ4

Crystal structureQ4

Hirshfeld surfaceQ4

Antibacterial activityQ4

Abstract

In the present study, the new compound from Dithiophosphorus with the formula [(S–) (S)P(OC6H4-p-CH3) (NHCH2CH2NH(Me)2) +] was prepared and determined by IR spectroscopy, 1H, 13C NMR, 31P NMR, elemental analysis and single crystal X-ray diffraction analysis. Structural analysis revealed that the compound was crystallized in monoclinic crystal system with P21/c space group. The Crystal structure of the compound showed that asymmetric unit contains two molecules and the phosphorus atom displayed P(S)(S)(N)(C) a distorted tetrahedral environment. In the Crystal structure N-H…S=P H-bonding produced a one dimensional molecular structure along the b axis. This pattern contains and motifs. Hirshfeld surfaces and two-dimensional fingerprint plots are generated using the Crystal Explorer software program in which the CIF input file is used. These analyses revealed that H…H interactions had 51.1 % and 50.9 % portions of total interactions for the two molecules. Antibacterial properties of the new compound were additionally tested against E. coli, P. aeruginosa, S. aureus and B. cereus.

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