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A structure of a new inclusion compound of bis-thiourea pyridinium nitrate salt C 5 H 6 N + NO 3  -  2[CH 4 N 2 S] was determined by single-crystal X-ray diffraction method at 293 K, 250 K and 150 K. In high temperature phase the compound crystallizes in orthorhombic system, the two low-temperature phases are monoclinic. The sequence of phases is:  Pbnm  →  P 2 1 / c  →  P 2 1 . In the orthorhombic form (I) the  a  axis is doubled in respect to the monoclinic forms and pyridinium and nitrate ions are partially disordered. Both low-temperature monoclinic phases (II) and (III) are ordered but twinned by pseudo-merohedry. In all three phases the host lattice is built of ribbons of hydrogen-bonded thiourea molecules and nitrate anions forming channels in which the guests pyridinium cations are located. Each ribbon consists of two crystallographically independent thiourea molecules and nitrate ions. Four ribbons form a channel parallel to the  c  axis with approximately square cross-section. In the channel there is a stack of pyridinium cations, which planes form an inclination angle with the channel axis. The angle varies from about 90° in disordered phase I to 60° in well ordered phase (III).

Structure, phase transitions and dielectric properties of a new inclusion compound of bis-thiourea pyridinium nitrate salt