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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Inclusion compounds of thiourea and peralkylated ammonium salts .6. Hydrogen-bonded host lattices constructed from thiourea and anions of oxalic acid and fumaric acid
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Inclusion compounds of thiourea and peralkylated ammonium salts .6. Hydrogen-bonded host lattices constructed from thiourea and anions of oxalic acid and fumaric acid

机译：硫脲和过烷基化铵盐的夹杂物.6。由硫脲和草酸和富马酸的阴离子构成的氢键主晶格

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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), 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), 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, 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.
机译：新的包合物-草酸氢四正丁基铵-硫脲（1/2），（n-C4H9）（4）N + .HC2O4 -.- 2 [（NH2）（2）CS]（1），富马酸四甲基铵-硫脲（1/1），（CH3）（4）N + .HC4H2O4 -.-（NH2）（2）CS（2），富马酸二（四乙铵）-硫脲（1/2），[（C2H5）（4） N +]（2）.C4H2O42-.2 [（NH2）（2）CS]（3）和富马酸氢四正丙基铵-硫脲-水（1/1/2），（n-C3H7）（4）已制备N + .HC4H2O4 -.-（NH2）（2）CS.2H（2）O（4），并通过X射线晶体学对其进行了表征。晶体数据，Mo K alpha辐射：（1），空间群P2（1）/ n，a = 8.854（6），b = 9.992（3），c = 32.04（2）埃，beta = 97.34（3）度，对于2261个观测数据，Z = 4，RF = 0.055; （2），空间组P（1）超过bar，a = 6.269（2），b = 8.118（4），c = 14.562（8）埃，alpha = 104.79（4），beta = 91.72（4），伽玛对于1543个观测数据，= 101.30（4）度，Z = 2，RF = 0.078; （3），空间组P2（1）/ n，a = 11.340（2），b = 9.293（6），c = 14.6189（2）埃，beta = 102.41（2）度，Z = 2，RF = 0.050对于1856年的观测数据; （4），空间群P2 / n，a = 16.866（4），b = 8.311（1），c = 17.603（2）埃，beta = 104.94（1）度，Z = 4，RF = 0.048（观察到2785）数据。在（1）的晶体结构中，四正丁基铵离子被夹在由硫脲-草酸氢根带构成的褶皱层之间。在（2）的晶体结构中，锯齿形的O·H··O和C····O氢键富马酸氢盐带通过硫脲二聚体相连，形成宽的褶皱带，并且该晶体结构由这些硫脲-阴离子复合带和阳离子柱的填料。在（3）的层型晶体结构中，一系列硫脲-富马酸酯层与（002）平面匹配，并且（C2H5）（4）N +阳离子占据中间空间。在（4）的晶体结构中，硫脲，富马酸氢根离子和水分子通过氢键连接形成宽的褶皱带，这些褶皱带交联生成三维主体框架，该框架包含与a轴平行排列的开放通道，其中四正丙基铵阳离子容纳在每个通道的单个列中。

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