Urea-water-anion Lattices Part 1. Crystal structures of (C2H5)4N+X?·(NH2)2CO·2 H2O (X=Cl,Br, CN), an isomorphous series of layer-type inclusion complexes |
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Authors: | Thomas C W Mak Richard K McMullan |
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Institution: | (1) Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong;(2) Department of Chemistry, Brookhaven National Laboratory, 11973 Upton, New York, USA |
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Abstract: | The title ternary complexes (1, X=Cl;2, X=Br;3, X=CN) have been prepared and characterized by X-ray crystallography. Crystal data: space groupP21/n,Z=4;1,a=7.505(2),b=14.556(4),c=14.453(3) Å, =98.13(2)o, andR
F=0.088 for 1831 observed MoK
data;2,a=7.483(1),b=14.643(6),c=14.443 Å, =98.25(2)o, andR
F=0.113 for 923 data;3,a=7.490(2),b=14.646(5),c=14.594(5) Å, =98.85(5)o, andR
F=0.082 for 915 data. In the isomorphous crystal structure of1 and2, ordered (C2H5)4N+ cations are sandwiched between puckered layers matching the (020) family of planes, each being constructed from the cross-linking of planar zigzag chains of hydrogen-bonded urea molecules by the water molecules and halide ions. Compound3 has the same structure except that its cyanide group is disordered.
Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82066 (30 pages).Operated under contract DE-AC02-76CH00016 with the U.S. Department of Energy, Office of Basic Energy Science. |
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Keywords: | Inclusion complex layer structure hydrogen bonding urea tetraethylammonium salt |
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