Download citation
Download citation
link to html
New inclusion complexes tetra-n-propylammonium fluoride–urea–water (2/7/3), 2(n-C3H7)4N+F.7(NH2)2CO.3H2O (1), tetra-n-propylammonium chloride–urea (1/2), (n-C3H7)4N+Cl.2(NH2)2CO (2), tetra-n-propylammonium chloride–urea (1/3), (n-C3H7)4N+Cl.3(NH2)2CO (3), tetra-n-propylammonium bromide–urea–water (1/3/1), (n-C3H7)4N+Br.3(NH2)2CO.H2O (4), and tetra-n-propylammonium iodide–urea–water (1/3/1), (n-C3H7)4N+I.3(NH2)2CO.H2O (5), have been prepared and characterized by X-ray crystallography. Crystal data, Mo Kα radiation: (1), space group P21/c, Z = 4, a = 8.560 (2), b = 16.301 (3), c = 37.004 (7) Å, β = 92.31 (3)°, RF = 0.075 for 3945 observed data; (2), space group P21/n, Z = 4, a = 9.839 (2), b = 15.160 (3), c = 14.583 (3) Å, β = 108.82 (3)°, RF = 0.058 for 1770 observed data; (3), space group P21/c, Z = 4, a = 9.866 (2), b = 16.274 (3), c = 15.277 (3) Å, β = 103.36 (3)°, RF = 0.060 for 2272 observed data; (4), space group P1, Z = 2, a = 8.857 (2), b = 10.639 (2), c = 15.115 (3) Å, α = 88.01 (3), β = 75.02 (3), γ = 66.72 (3)°, RF = 0.064 for 2694 observed data; (5), space group P1, Z = 2, a = 9.045 (2), b = 10.781 (2), c = 15.169 (3) Å, α = 87.98 (3), β = 76.00 (3), γ = 65.73 (3)°, RF = 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)4N+ 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.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, se0206a, se0206b, se0206c, se0206d, se0206e

sft

Structure factor file (SHELXL table format)
Supplementary material

sft

Structure factor file (SHELXL table format)
Supplementary material

sft

Structure factor file (SHELXL table format)
Supplementary material

sft

Structure factor file (SHELXL table format)
Supplementary material

sft

Structure factor file (SHELXL table format)
Supplementary material

CCDC references: 131958; 131959; 131960; 131961; 131962

-1
Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds