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Substituent effects control the self-association of molecular clips in the crystalline state

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成果类型:
期刊论文
作者:
Wang, Zhi-Guo;Zhou, Bao-Han;Chen, Yun-Feng;Yin, Guo-Dong;Li, Yi-Tao;...
通讯作者:
Wu, An-Xin(吴安心
作者机构:
[Wu, An-Xin] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
通讯机构:
[Wu, An-Xin] C
Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
语种:
英文
期刊:
JOURNAL OF ORGANIC CHEMISTRY
ISSN:
0022-3263
年:
2006
卷:
71
期:
12
页码:
4502-4508
基金类别:
NIGMS NIH HHS [GM61854]
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
We report the X-ray crystal structure of 11 molecular clips and analyze the influence of substituents ( e. g., OMe, Me, and NO2) and their location on the observed crystal packing. Molecular clips 3a and 3b form tapelike structures in the crystal due to pi-pi interactions between the aromatic walls. Compounds 3d, 3eC, and 3fC form dimers driven by critical C-H center dot center dot center dot O interactions and then form tapes driven by pi-pi interactions in the crystal. These two building motifs, pi-pi and C-H center dot center dot center dot O interactions, can be used to rationalize the ena...

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