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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Crystal engineering using bis- and tris-phenols. Adducts with 1,4,8,11-tetraazacyclotetradecane (cyclam): Isolated ladders in the adduct with 4,4 '-thiodiphenol, tethered ladders in the adduct with 4,4 '-sulfonyldiphenol and two interwoven three-dime
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Crystal engineering using bis- and tris-phenols. Adducts with 1,4,8,11-tetraazacyclotetradecane (cyclam): Isolated ladders in the adduct with 4,4 '-thiodiphenol, tethered ladders in the adduct with 4,4 '-sulfonyldiphenol and two interwoven three-dime

机译：使用双酚和三酚的晶体工程。与1,4,8,11-四氮杂环十四烷（cyclam）的加合物：加合物中与4,4'-硫代二苯酚的孤立阶梯，加合物与4,4'-磺酰基二酚和两个交织的三丁香的系链阶梯

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The structure of 4,4'-thiodiphenol-1,4,8,11-tetraazacyclotetradecane (2/1), (C12H10O2S)(2). C10H24N4 (1), monoclinic, P2(1)/c, a=11.1602(12), b=10.8084(12), c = 14.001(2) Angstrom, beta = 103.127(10)degrees, with Z = 2, contains phenolate anions [HOC6H4SC6H4O](-) and diprotonated cyclam cations [C10H26N4](2+): these cations have the centrosymmetric trans-III conformation and the two additional protons are contained within the N-4 cavity of the macrocycle, held by three-centre hydrogen bonds. The phenolate anions form chains, held together by O-H ... O hydrogen bonds, and pairs of these chains are cross-linked into ladders by the [cyclamH(2)](2+) cations by means of N-H ... O hydrogen bonds. The structure of 4,4'-sulfonyldipheno1-1,4,8,11-tetraazacyclotetradecane (2/1), (C12H10O4S)(2 .)C10H24N4 (2), triclinic, P (1) over bar, a = 10.9345(10), b=11.0060(10), c= 14.350 (2)Angstrom, alpha = 79.532(10), beta = 86.739(10), gamma = 87.471 (10)degrees, with Z = 2, contains phenolate anions [HOC6H4SO2C6H4O](-) and cyclam dications [C10H26N4](2+): the phenolate anions are linked into antiparallel chains, cross-linked by the cyclam cations. There are two distinct types of ladder in the structure running along (0, y, 0) and (1/2, y, 4), respectively, and these bundled ladders are tied together by C-H ... O hydrogen bonds to form a continuous three-dimensional array. In 1,1, 1 -tris(4-hydroxyphenyl)ethane-1,4,8,11-tetraazacyclotetradecane-methanol (2/1/1), (C20H18O3)(2 .)C10H24N4 CH4O (3), triclinic, P (1) over bar, a= 8.2208(11), b=16.245(2), c=17.337(2)Angstrom, alpha=81.694 (13), beta = 89.656 (14), gamma = 86.468 (12)degrees, with Z = 2, the structure contains centrosymmetric diprotonated cyclam cations of precisely the same type as found in (1), phenolate anions [(HOC6H4)(2)C(CH3)C6H4O](-) and neutral methanol molecules. The molecular components are linked together by nine different types of hydrogen bond, five of O-H ... O type and four of N-H ... O type, to form chains running in the [001], [010] (two sets), [211] and [21 (1) over bar] directions. The combination of these chain motifs generates two independent three-dimensional networks which are fully interwoven, but not bonded to one another. [References: 28]
机译：4,4'-硫代双酚-1,4,8,11-四氮杂环十四烷（2/1），（C12H10O2S）（2）的结构。 C10H24N4（1），单斜晶，P2（1）/ c，a = 11.1602（12），b = 10.8084（12），c = 14.001（2）埃，beta = 103.127（10）度，Z = 2，包含酚酸阴离子[HOC6H4SC6H4O]（-）和双质子化环酰胺阳离子[C10H26N4]（2+）：这些阳离子具有中心对称反式III构象，另外两个质子包含在大环的N-4腔内，由三环保持中心氢键。酚酸根阴离子形成通过OH ... O氢键连接在一起的链，这些链对通过NH ... O氢通过[cyclamH（2）]（2+）阳离子交联成梯子债券。 4,4'-磺酰基二苯基1,1-1,4,8,11-四氮杂环十四烷（2/1），（C12H10O4S）（2。）C10H24N4（2），三斜晶系，P（1）的结构，a = 10.9345（ 10），b = 11.0060（10），c = 14.350（2）埃，α= 79.532（10），β= 86.739（10），γ= 87.471（10）度，Z = 2，含有酚盐阴离子[HOC6H4SO2C6H4O ]（-）和cyclam指示[C10H26N4]（2+）：酚盐阴离子连接成反平行链，由cyclam阳离子交联。结构中有两种不同类型的梯子分别沿着（0，y，0）和（1/2，y，4）延伸，这些捆绑的梯子通过CH ... O氢键连接在一起形成一个连续三维数组。在1,1，1-三（4-羟苯基）乙烷-1,4,8,11-四氮杂环十四烷-甲醇（2/1/1）中，（C20H18O3）（2。）C10H24N4 CH4O（3），三斜晶系，P （1）超过bar，a = 8.2208（11），b = 16.245（2），c = 17.337（2）埃，alpha = 81.694（13），beta = 89.656（14），伽马= 86.468（12）度，当Z = 2时，该结构包含与（1）中类型完全相同的中心对称双质子化的环酰胺阳离子，酚盐阴离子[（HOC6H4）（2）C（CH3）C6H4O]（-）和中性甲醇分子。分子成分通过九种不同类型的氢键（OH ... O型中的五个和NH ... O型中的四个）连接在一起，形成在[001]，[010]（两组）中运行的链， [211]和[21（1）over bar]方向。这些链基序的组合产生了两个独立的三维网络，这些网络完全交织在一起，但没有相互结合。 [参考：28]

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