Crystal structure of room-temperature ionic liquid 1-butyl-isoquinolinium gallium tetrachloride [(BIQL)GaCl4]

摘要

The crystal structure of 1-butyl-isoquinolinium gallium tetrachloride [(BIQL)GaCl4], which forms room-temperature ionic liquids, has been determined by X-ray diffraction of its single crystal at 113 K. The title crystal belongs to the monoclinic system space group P2_1/c with a = 7.1438(12) A, b = 14.3490(14) A, c = 16,3531(18) A, β = 94.885(7)°, V = 1670.2(4) A~3 for Z = 4 and FW = 397.81, μ = 0.124 mm~(-1), F(000) = 800,D_c = 1.582 mg m~(-3), R = 0.0266 and wR = 0.0606 for 4068 observed reflections (I > 2.00σ (I)). The ionic liquid of (BIQL)GaCl4 has lamellar structure as mainly π electron plane of isoquinoline interleave and the layer distance is 3.431 A connected with GaCl_4~- structure size. The cation and anion of (BIQL)GaCl4 arrange orderly in pair and the results indicate that coulombic attraction is dominant, although weak local hydrogen bonds (C—H···Cl) exist simultaneously.