Inclusion compounds of thiourea and peralkylated ammonium salts .6. Hydrogen-bonded host lattices constructed from thiourea and anions of oxalic acid and fumaric acid

被引:27
作者
Li, Q
Mak, TCW
机构
[1] Department of Chemistry, Chinese University of Hong Kong, Shatin, New Territories
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1997年 / 53卷
关键词
D O I
10.1107/S0108768196012918
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
New inclusion complexes tetra-n-butylammonium hydrogen oxalate-thiourea (1/2), (n-C4H9)(4)N+.HC2O4-.-2[(NH2)(2)CS] (1), tetramethylammonium hydrogen fumarate-thiourea (1/1), (CH3)(4)N+.HC4H2O4-.-(NH2)(2)CS (2), di(tetraethylammonium) fumarate-thiourea (1/2), [(C2H5)(4)N+](2).C4H2O42-.2[(NH2)(2)CS] (3) and tetra-n-propylammonium hydrogen fumarate-thiourea-water (1/1/2), (n-C3H7)(4)N+.HC4H2O4-.-(NH2)(2)CS.2H(2)O (4) have been prepared and characterized by X-ray crystallography. Crystal data, Mo K alpha radiation: (1), space group P2(1)/n, a = 8.854 (6), b = 9.992 (3), c = 32.04 (2) Angstrom, beta = 97.34 (3)degrees, Z = 4, R-F = 0.055 for 2261 observed data; (2), space group P (1) over bar, a = 6.269 (2), b = 8.118 (4), c = 14.562 (8) Angstrom, alpha = 104.79 (4), beta = 91.72 (4), gamma = 101.30 (4)degrees, Z = 2, R-F = 0.078 for 1543 observed data; (3), space group P2(1)/n, a = 11.340 (2), b = 9.293 (6), c = 14.6189 (2) Angstrom, beta = 102.41 (2)degrees, Z = 2, R-F = 0.050 for 1856 observed data; (4), space group P2/n, a = 16.866 (4), b = 8.311 (1), c = 17.603 (2) Angstrom, beta = 104.94 (1)degrees, Z = 4, R-F = 0.048 for 2785 observed data. In the crystal structure of (1) the tetra-n-butylammonium ions are sandwiched between puckered layers, which are constructed from thiourea-hydrogen oxalate ribbons. In the crystal structure of (2), zigzag O--H ... O and C--... O hydrogen-bonded hydrogen fumarate ribbons are linked by thiourea dimers to form a wide puckered ribbon and the crystal structure is built of a packing of these thiourea-anion composite ribbons and the cationic columns. In the layer-type crystal structure of (3) a series of thiourea-fumarate layers match the (002) planes and the (C2H5)(4)N+ cations occupy the intervening space. In the crystal structure of (4) the thiourea, hydrogen fumarate ions and water molecules are connected by hydrogen bonds to form wide puckered ribbons, which are crosslinked to generate a three-dimensional host framework containing open channels aligned parallel to the a axis, with the tetra-n-propylammonium cations accommodated in a single column within each channel.
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页码:252 / 261
页数:10
相关论文
共 24 条
[1]   Thiourea inclusion complexes of organometallics: optically non-linear materials [J].
ANDERSON, AG ;
CALABRESE, JC ;
TAM, W ;
WILLIAMS, ID .
CHEMICAL PHYSICS LETTERS, 1987, 134 (04) :392-396
[2]   DIRECT DETERMINATION OF CRYSTAL STRUCTURE OF BETA-FUMARIC ACID [J].
BEDNOWITZ, AL ;
POST, B .
ACTA CRYSTALLOGRAPHICA, 1966, 21 :566-+
[3]   ATOM ATOM POTENTIAL ANALYSIS OF THE PACKING CHARACTERISTICS OF CARBOXYLIC-ACIDS - A STUDY BASED ON EXPERIMENTAL ELECTRON-DENSITY DISTRIBUTIONS [J].
BERKOVITCHYELLIN, Z ;
LEISEROWITZ, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (15) :4052-4064
[4]   CRYSTAL STRUCTURE OF FUMARIC ACID [J].
BROWN, CJ .
ACTA CRYSTALLOGRAPHICA, 1966, 21 :1-&
[5]   CRYSTAL-STRUCTURE OF MONOCLINIC ADDUCT OF THIOUREA WITH 2,3-DIMETHYLBUTADIENE [J].
CHATANI, Y ;
NAKATANI, S .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1976, 144 (3-4) :175-188
[6]   TRANSITIONS IN A SERIES OF CLATHRATES OF THIOUREA AND UREA WITH CYCLIC ENCAGES [J].
CLEMENT, R ;
JEGOUDEZ, J ;
MAZIERES, C .
JOURNAL OF SOLID STATE CHEMISTRY, 1974, 10 (01) :46-50
[7]   REFINEMENT OF CRYSTAL-STRUCTURES OF ANHYDROUS ALPHA AND BETA-OXALIC ACIDS [J].
DERISSEN, JL ;
SMIT, PH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, 30 (SEP15) :2240-2242
[8]   CARBON-TETRACHLORIDE THIOUREA (1/3) ADDUCT AT 170-K [J].
FAIT, JF ;
FITZGERALD, A ;
CAUGHLAN, CN ;
MCCANDLESS, FP .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1991, 47 :332-337
[9]   A THIOUREA-1,5-CYCLOOCTADIENE CLATHRATE AT 173 K [J].
GARNEAU, I ;
RAYMOND, S ;
BRISSE, F .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 :538-541
[10]   STRUCTURAL ASPECTS OF THE CHLOROCYCLOHEXANE THIOUREA INCLUSION SYSTEM [J].
HARRIS, KDM ;
THOMAS, JM .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (07) :1095-1101