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The crystal cells and the most relevant hydrogen-bonding interactions within the unit cell of (A) 2CPBI and (B) 4CPBI. The (C) theoretical and (D) experimental spectra of 2CPBI. The (E) theoretical and (F) experimental spectra of 4CPBI. The isolated-molecule motions of 2CPBI: (G) Out-of-plane twisting. (H) Out-of-plane bending. (I) In-plane rocking (Song et al., 2018).
