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Data · dataset · 2016

Synthesis, photophysical, electrochemical and single-crystal x-ray diffraction study of ( Z )-2-phenyl-3-(5-(4-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-7-yl)thiophen-2-yl)acrylonitrile

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The optical characteristics, redox properties, thermogravimetric stability and single-crystal X-ray diffraction study of ( Z )-2-phenyl-3-(5-(4-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-7-yl)thiophen-2-yl)acrylonitrile are examined using ultraviolet–visible spectrophotometry, cyclic voltammetry, thermal gravimetric analysis–diffraction scanning calorimetry analysis, single-crystal X-ray diffraction and density functional theory calculations.

Evidently, the crystal structure of compound 6 is sustained by a number of weak nonconventional intermolecular forces of attraction such as C-H … N, C-H … π donor–acceptor interactions.

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Density functional theory 75% · Physical chemistry 73%

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