Synthesis and Structural Analysis of 2-Cyanophenyl Phenacyl Ether

Barim E.; Sevincek R.; Kirilmis C.

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Synthesis and Structural Analysis of 2-Cyanophenyl Phenacyl Ether

机译：2-氰基苯苯醚的合成与结构分析

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Molecular and crystal structure of 2-cyanophenyl phenacyl ether, C15H11O2N, have been determined by single crystal X-ray diffraction study. The title compound is monoclinic, with a = 4.4334(4) angstrom, b = 10.7677(11) angstrom, c = 12.7779(11) angstrom, beta = 99.806(8)degrees , Z = 2, sp. gr. P2(1). The crystal structure is stabilized by C-H center dot center dot center dot O inter-molecular interactions. In order to clarify the electron delocalization on the whole molecule and determine the active sites of the title compound, DFT calculations and NBO analysis were performed.

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《Crystallography reports》 |2017年第7期|共4页
作者
Barim E.; Sevincek R.; Kirilmis C.;
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Adiyaman Univ Dept Chem TR-02040 Adiyaman Turkey;

Dokuz Eylul Univ Dept Phys TR-35160 Izmir Turkey;

Adiyaman Univ Dept Chem TR-02040 Adiyaman Turkey;

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正文语种 eng
中图分类晶体学;
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Synthesis and Structural Analysis of 2-Cyanophenyl Phenacyl Ether

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