首页> 外文会议>DAE Solid State Physics Symposium >Synthesis and Structural Study of 4-(2-Chlorophenyl)-2-Ethoxy-5,6,7,8,9,10-HexahydrocyclooctaBPyridine-3-Carbonitrile
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Synthesis and Structural Study of 4-(2-Chlorophenyl)-2-Ethoxy-5,6,7,8,9,10-HexahydrocyclooctaBPyridine-3-Carbonitrile

机译:4-(2-氯苯基)-2-乙氧基-5,6,7,8,9,10-六氢碳溶胶囊溶液B吡啶-3-腈的合成及结构研究

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The novel organic material C_(20)H_(21)ClN_2O was synthesized by One-Pot synthesis method and the single crystals were grown by slow evaporation solution growth technique. The crystal structure was elucidated by subjecting the grown crystals to the single crystal x-ray diffraction analysis and was refined by full matrix least-squares method to R=0.039 for 2746 reflections. Crystal system of the grown crystal was found to be monoclinic with the space group P2_1/a and a=9.196(4) A, b=13.449(4) A, c=14.818(4) A, β= 101.542(3)°, V=1795.6(11) A~3 and Z=4. In this crystal structure, cyclooctanone prefers to reside in a chair-boat conformation. The structure is stabilized by attractive molecular force such as CH/π interaction called hydrophobic interaction.
机译:通过单盆合成方法合成新型有机材料C_(20)H_(21)ClN_2O,通过缓慢蒸发溶液生长技术生长单晶。通过使生长的晶体进行单晶X射线衍射分析来阐明晶体结构,并通过全基质最小二乘法改进至r = 0.039,持续2746反射。发现生长的晶体的晶体系统是单斜视的空间组P2_1 / A和A = 9.196(4)A,B = 13.449(4)A,C = 14.818(4)A,β= 101.542(3)° ,v = 1795.6(11)a〜3和z = 4。在这种晶体结构中,Cycloctanone更喜欢居住在椅子船上构造。通过诸如称为疏水相互作用的CH /π相互作用如CH /π相互作用,该结构稳定。

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