Inclusion compounds of thiourea and peralkylated ammonium salts. Part II. Hydrogen-bonded host lattices built of thiourea and cyclic dimeric bicarbonate moieties

1994 ◽  
Vol 20 (1) ◽  
pp. 73-88 ◽  
Author(s):  
Qi Li ◽  
Thomas C. W. Mak
Keyword(s):  
Inclusion Compounds ◽  
Ammonium Salts ◽  
Host Lattices ◽  
Hydrogen Bonded

Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions

1996 ◽  
Vol 52 (6) ◽  
pp. 989-998 ◽  
Author(s):  
Q. Li ◽  
T. C. W. Mak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Channel System ◽  
Nitrate Ion ◽  
Space Group ◽  
One Dimensional ◽  
X Ray Crystallography ◽  
Packing Arrangement ◽  
Host Lattices ◽  
Hydrogen Bonded

The new inclusion complexes tetraethylammonium nitrate–thiourea (1:3), (C2H5)4N+.NO3 −. 3(NH2)2CS (1), tetra-n-propylammonium nitrate–thiourea–water (1:3:1), (n-C3H7)4N+.NO3 −.3(NH2)2CS.H2O (2), tetramethylammonium nitrate–thiourea (1:1), (CH3)4N+.NO3 −.(NH2)2CS (3), tetra-n-propylammonium nitrate–thiourea (1:1), (n-C3H7)4N+.NO3 −. (NH2)2CS (4), and tetra-n-butylammonium nitrate–thiourea (1:1), (n-C4H9)4N+.NO3 −.(NH2)2CS (5) have been prepared and characterized by X-ray crystallography. Crystal data, Mo Kα: (1), space group P{\bar 1}, a = 10.300 (2), b = 14.704 (3), c = 15.784 (4) Å, α = 75.30 (3), β = 86.98 (3), γ = 72.25 (3)°, Z = 4 and RF = 0.039 for 5034 observed data; (2), space group P21/n, a = 8.433 (2), b = 9.369 (2), c = 34.361 (7) Å, β = 91.01 (3)°, Z = 4 and RF = 0.050 for 2475 observed data; (3), space group Pnma, a = 15.720 (3), b = 8.218 (2), c = 8.709 (2) Å, Z = 4 and RF = 0.073 for 579 observed data; (4), space group P21/n, a = 8.784 (2), b = 14.421 (3), c = 15.078 (3) Å, β = 92.31 (3)°, Z = 4 and RF = 0.046 for 2507 observed data; (5), space group Pna21, a = 19.934 (3), b = 12.680 (2), c = 9.092 (3) Å, Z = 4 and RF = 0.047 for 1646 observed data. In the crystal structure of (1) infinite chains each composed of an alternate arrangement of a twisted thiourea trimer and a nitrate ion are cross-linked to form a puckered layer and further hydrogen bonding between such layers leads to a channel host framework for accommodation of the cationic guests. In the crystal structure of (2) two independent thiourea molecules are used to construct a hydrogen-bonded puckered layer normal to the c axis, whereas the remaining thiourea molecule, together with the nitrate ion and water molecule, generate another puckered layer that is parallel to the first. Hydrogen bonding between these two types of layers gives rise to a channel system running parallel to the [100] direction and the cations are stacked regularly within each column. Compounds (3), (4) and (5) have closely related crystal structures in which the cations are separated by one-dimensional, infinitely extended thiourea–nitrate composite ribbons in a sandwich-like packing arrangement.

Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water

2000 ◽  
Vol 56 (1) ◽  
pp. 142-154 ◽  
Author(s):  
Feng Xue ◽  
Thomas C. W. Mak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Directed Assembly ◽  
Water Molecules ◽  
Triclinic Space Group ◽  
Dimensional Network ◽  
Graph Set ◽  
Host Lattices ◽  
Hydrogen Bonded

New crystalline adducts of tetraalkylammonium terephthalate/trimesate with urea and water molecules result from hydrogen-bond directed assembly of complementary acceptors and donors, and the anionic host lattices are described using the graph-set notation to identify distinct hydrogen-bonding motifs and patterns. Tetra-n-butylammonium terephthalate–urea–water (1/6/2), C46H104N14O12 (1), triclinic, space group P1¯, a = 8.390 (2), b = 9.894 (2), c = 18.908 (3) Å, α = 105.06 (2), β = 94.91 (1), γ = 93.82 (2)°, Z = 1, is composed of hydrogen-bonded terephthalate–urea layers, which are intersected by urea layers to generate a three-dimensional network containing large channels for accommodation of the cations. Tetraethylammonium terephthalate–urea–water (1/1/5), C25H58N4O10 (2), triclinic, P1¯, a = 9.432 (1), b = 12.601 (1), c = 14.804 (1) Å, α = 79.98 (1), β = 79.20 (1), γ = 84.18 (1)°, Z = 2, has cations sandwiched between hydrogen-bonded anionic layers. Tetraethylammonium trimesate–urea–water (1/2/7.5), C35H86N7O15.5 (3), triclinic, P1¯, a = 13.250 (1), b = 14.034 (1), c = 15.260 (1) Å, α = 72.46 (1), β = 78.32 (1), γ = 66.95 (1)°, Z = 2, manifests a layer-type structure analogous to that of (2). Tetra-n-propylammonium hydrogen trimesate–urea–water (1/2/5), C35H78N6O13 (4), orthorhombic, Pna21, a = 16.467 (3), b = 33.109 (6), c = 8.344 (1) Å, Z = 4, features hydrogen trimesate helices in a three-dimensional host architecture containing nanoscale channels each filled by a double column of cations.

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