Hydrogen-bonded urea-anion host lattices. 6. New inclusion compounds of urea with tetra-n-propylammonium halides

摘要

New inclusion complexes tetra-n-propylammonium fluoride-urea-water (2/7/3), 2(n-C3H7)(4)N+F-.7(NH2)(2-)CO.3H(2)O (1), tetra-n-propylammonium chloride-urea (1/2), (n-C3H7)(4)N+Cl-.2(NH2)(2)CO (2), tetra-n-propylammonium chloride-urea (1/3), (n-C3H7)(4)N+Cl-.- 3(NH2)(2)CO (3), tetra-n-propylammonium bromide-urea-water (1/3/1), (n-C3H7)(4)N+Br-. 3 (NH2)(2)CO . H2O (4), and tetra-n-propylammonium iodide-urea-water (1/3/1), (n-C3H7)(4)N+I-.3(NH2)(2)CO . H2O (5), have been prepared and characterized by X-ray crystallography. Crystal data, Mo K alpha radiation: (1), space group P2(1)/c, Z = 4, a = 8.560 (2), b = 16.301 (3), c= 37.004 (7) Angstrom, beta= 92.31 (3)degrees, R-F = 0.075 for 3945 observed data; (2), space group P2(1), Z = 4, a = 9.839 (2), b = 15.160(3), c = 14.583 (3) Angstrom, beta = 108.82(3)degrees R-F = 0.058 for 1770 observed data; (3), space group P2(1)/c, Z = 4, a = 9.866(2), b = 16.274(3), c = 15.277(3)Angstrom, beta= 103.36(3)degrees R-F = 0.060 for 2272 observed data; (4), space group P (1) over bar, Z= 2, a = 8.857 (2), b = 10.639 (2), c = 15.115 (3) Angstrom, alpha = 88.01 (3), beta = 75.02 (3), gamma = 66.72 (3)degrees, R-F = 0.064 for 2694 observed data; (5), space group P (1) over bar, Z = 2, a = 9.045 (2), b = 10.781 (2), c = 15.169 (3) Angstrom, alpha=87.98 (3), beta = 76.00(3), gamma = 65.73 (3)degrees, R-F = 0.052 for 4973 observed data. In the crystal structure of (1) an alternate crisscross arrangement of urea ribbons, which are cross-bridged by other urea molecules, water molecules and fluoride ions, generates a three-dimensional host lattice containing an open-channel system running parallel to the b axis, with the (n-C3H7)(4)N+ cations accommodated in a zigzag column within each channel. In the crystal structure of (2) the cations are sandwiched between puckered layers resulting from parallel urea ribbons that are cross-bridged by chloride anions. In (3) the (n-C3H7)4N+ cations are accommodated in a channel-type host lattice built of planar arrays of twisted ribbons constructed from three independent urea molecules, which are cross-linked by bridging chloride ions. Complexes (4) and (5) are isomorphous with the same channel host framework built of parallel corrugated urea layers that are interlinked by cyclic (H2O.X-)(2) tetramers. [References: 25]