Study of packing of 4′-butyl-4-isothiocyanatotolane by X-ray diffraction and infrared spectra in polarized light

► The flattened herringbone packing of 4TOLT in crystal - the X-ray results. ► Packing of 4TOLT in the crystal-like, smectic K and E phases - IR polarized results. ► Selection of modes involved in the Fermi resonance with the νas(NCS) vibration. ► Analysis of directions of the transition dipole moment vectors.