heteroaromaticity is one of the significant stabilization factors which can act as an appropriate driving force in pi-based interactions to aggregate the molecules in the crystalline solid state. Indeed, one of the challenges in the crystal engineering approach is having an understanding the control factors of solid-state molecular packing. Here, we have theoretically explored the new synthesized heterocyclic compound which was characterized by X-ray single crystal diffraction analysis. For consideration of the geometrical parameters, vibrational spectra and electronic properties, the various levels of theory have been utilized[1, 2]

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