Molecular Self Assembly: Solvent Guests Tune the Conformation of a Series of 2,6-Bis(2-anilinoethynyl)pyridine-Based Ureas.
Molecular Self Assembly: Solvent Guests Tune the Conformation of a Series of 2,6-Bis(2-anilinoethynyl)pyridine-Based Ureas.
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DOI：
10.1021/cg201074v
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发表时间：
2011-11-02
影响因子：
3.8
通讯作者：
Johnson, Darren W.
中科院分区：
文献类型：
--
作者：
Engle, Jeffrey M.;Lakshminarayanan, P. S.;Carroll, Calden N.;Zakharov, Lev N.;Haley, Michael M.;Johnson, Darren W.
用单晶x射线衍射方法研究了2,6-双（2-苯胺乙基）吡啶基尿素受体的构象，发现其具有丰富的构象柔韧性。在DMSO中，受体L1倾向于“S”构象，而在DMSO/CH3OH二元溶剂体系中，受体L1结晶为“O”构象，在DMSO/甲苯/1,4-二氧六环三元溶剂混合物中，受体L1结晶为“W”构象。在L2的情况下，分子采用“S”构象，其中水分子夹在两个L2分子之间形成二聚体。与L2类似，L3也形成二聚体，其中水分子夹在L3分子之间，L3分子被两个DMSO分子覆盖。这种覆盖DMSO溶剂在L2的情况下是缺乏的。综上所述，这些结果表明2,6-二（2-苯胺乙基）吡啶基尿素受体的构象可以通过结晶溶剂的选择而被显著地操纵和调节。
The conformations of 2,6-bis(2-anilinoethynyl)pyridine-based urea receptors were studied by single crystal X-ray diffraction methods and revealed a rich conformational flexibility influenced by solvents. Whereas receptor L1 in DMSO prefers an “S” conformation, receptor L1 crystallizes in an “O” conformation from DMSO/CH3OH binary solvent system, and a “W” conformation in the ternary solvent mixture DMSO/toluene/1,4-dioxane. In the case of L2, the molecule adopts an “S” conformation where water molecules are sandwiched between two molecules of L2 to form a dimer. Similar to L2, L3 also forms a dimer where water molecules are sandwiched between L3 molecules, which are capped with two molecules of DMSO. Such a capping DMSO solvate is lacking in the case of L2. Taken together, these results demonstrate that the conformation of 2,6-bis(2-anilinoethynyl) pyridine-based urea receptors can be dramatically manipulated and tuned by the choice of crystallization solvents.
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影响因子：
4.9
作者：
Carroll, Calden N.;Berryman, Orion B.;Johnson, Darren W.
通讯作者：
Johnson, Darren W.
影响因子：
15
作者：
Prince, RB;Barnes, SA;Moore, JS
通讯作者：
Moore, JS
影响因子：
4.9
作者：
Lakshminarayanan, P. S.;Ravikumar, I.;Ghosh, Pradyut
通讯作者：
Ghosh, Pradyut
DOI：
10.1126/science.1202692
发表时间：
2011-05-20
期刊：
Science (New York, N.Y.)
影响因子：
--
作者：
Dunkle JA;Wang L;Feldman MB;Pulk A;Chen VB;Kapral GJ;Noeske J;Richardson JS;Blanchard SC;Cate JH
通讯作者：
Cate JH
影响因子：
16.6
作者：
Berryman, Orion B.;Johnson, Charles A., II;Johnson, Darren W.
通讯作者：
Johnson, Darren W.