A dimeric layered structure of a 4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine compound

被引：10
作者：
Avasthi, K
Rawat, DS
Sarkhel, S
Maulik, PR [1 ]
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
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 2002年 / 58卷
关键词：
D O I：
10.1107/S0108270102006649
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The title compound, 6-methylsulfanyl-1-(3-phenylpropyl)4,5-dihydro-1H- pyrazolo[3,4-d]pyrimidin-4-one, C15H16N4OS, crystallizes in space group Pbca, with two molecules of similar structure in the asymmetric unit. The molecular structure shows the absence of intramolecular stacking in the crystalline state, as indicated by earlier 1H NMR analysis in solution. In addition, the crystal packing reveals the formation of a layered structure, due mainly to intermolecular N-H⋯O=C hydrogen bonding and arene-arene interactions.
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页码：O325 / O327
页数：3
相关论文
共 20 条
[1]  
AVASTHI K, 1995, INDIAN J CHEM B, V34, P944
[2]  
Avasthi K, 1998, INDIAN J CHEM B, V37, P754
[3]   SYNTHESIS OF 4-AMINO HYDROXY-6-METHYLTHIO-1/2-(2',2'-DIETHOXYETHYL)-1H/2H-PYRAZOLO[3,4-D]PYRIMIDINES AND THEIR ANTIALLERGIC ACTIVITY [J].
AVASTHI, K ;
GARG, N ;
CHANDRA, T ;
BHAKUNI, DS ;
GUPTA, PP ;
SRIMAL, RC .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1993, 28 (7-8) :585-591
[4]   A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule:: the effect on stacking of an ethyl group in comparison with a methyl group [J].
Avasthi, K ;
Aswal, S ;
Maulik, PR .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2001, 57 (11) :1324-1325
[5]   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 [J].
Avasthi, K ;
Rawat, DS ;
Maulik, PR ;
Sarkhel, S ;
Broder, CK ;
Howard, JAK .
TETRAHEDRON LETTERS, 2001, 42 (40) :7115-7117
[6]  
AVASTHI K, 2001, UNPUB
[7]   1,3-BIS[4,6-BIS(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PROPANE [J].
BISWAS, G ;
CHANDRA, T ;
AVASTHI, K ;
MAULIK, PR .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 :2453-2455
[8]  
*BRUK AXS INC, 1997, SHELXTL NT VERS 5 10
[9]  
Desiraju G. R., 1999, The Weak Hydrogen Bond
[10]   SUPRAMOLECULAR SYNTHONS IN CRYSTAL ENGINEERING - A NEW ORGANIC-SYNTHESIS [J].
DESIRAJU, GR .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (21) :2311-2327
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