Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry


Synthesis, Single Crystal X-ray and Hirshfeld Surface Analysis of (2-(methylthio) thiophen-3-yl)(thiophen-2-yl)methanone

Author(s): Nasseem El-khatatneh, Pradeepa Kumara CS, Chandra, Hussien Khamees, Sadashiva MP, Jeyaseelan S, Mahendra M

The title compound of (2-(methylthio)thiophen-3-yl)(thiophen-2-yl)methanone, was synthesized and confirmed by spectroscopic techniques such as Fourier Transform Infrared (FTIR), Proton Nuclear Magnetic Resonance (1H-NMR), Carbon-13 Nuclear Magnetic Resonance (13C-NMR), mass spectra and element analysis. Single crystals obtained by slow evaporation technique and the crystal structure were determined by single crystal X-ray diffraction method. The compound crystallizes in the monoclinic crystal system with the space group P2(1), unit cell parameters a=5.6236(6) Å, b=12.8026(13) Å, c=7.2117(7) Å, β=92.971(5)° and Z=2. The structure exhibits intermolecular hydrogen bonds of the type C-H…S. Hirshfeld analysis was carried out to understand the packing pattern and intermolecular interactions.