1H NMR and X-ray crystallographic analysis of 1,2-bis(4,6-diethylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethane and its 'propylene linker'-analog:: molecular recognition versus crystal engineering

被引:24
作者
Avasthi, K
Rawat, DS
Maulik, PR [1 ]
Sarkhel, S
Broder, CK
Howard, JAK
机构
[1] Cent Drug Res Inst, Mol & Struct Biol Div, Lucknow 226001, Uttar Pradesh, India
[2] Cent Drug Res Inst, Div Med Chem, Lucknow 226001, Uttar Pradesh, India
[3] Univ Durham, Dept Chem, Durham DH1 3LE, England
关键词
H-1 NMR spectroscopy; X-ray crystallography; molecular recognition; stacking interactions;
D O I
10.1016/S0040-4039(01)01478-2
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
Proton NMR analysis on newly synthesized 1,2-bis(4,6-diethylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethane, 2c, and 1,2-bis(4,6-diethylthio-1H-pyazolo[3,4-d]pyrimidin-1-yl)propane, 2d. showed intramolecular stacking in solution. X-Ray crystallography on 2c and 2d. however, confirmed the presence of such intramolecular stacking only in case of the 'propylene linker' compound. 2d. while the 'ethylene linker' compound. 2c. was devoid of it. (C) 2001 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:7115 / 7117
页数:3
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