A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule:: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups

被引：22
作者：
Avasthi, K
Tewari, A
Rawat, DS
Sharon, A
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 / 08期
关键词：
D O I：
10.1107/S0108270102012039
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In the crystal structure of 1,1'-(1,3-propanediyl)bis(5-benzyl6-methylsulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one), C29H28N8O2S2, the pairs of pyrazolo[3,4-d]pyrimidine rings stack as a result of intramolecular pi-pi interactions between the heterocyclic rings. The folded molecules are further stacked in pairs, due to intermolecular aromatic pi-pi interactions and C-H...O hydrogen bonds.
引用
收藏
页码：o494 / o495
页数：2
相关论文
共 14 条
  • [1] AVASTHI K, 1995, INDIAN J CHEM B, V34, P944
  • [2] Avasthi K, 1998, INDIAN J CHEM B, V37, P754
  • [3] A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule:: the effect on stacking of an ethyl group in comparison with a methyl group
    Avasthi, K
    Aswal, S
    Maulik, PR
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2001, 57 (11): : 1324 - 1325
  • [4] 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
    Avasthi, K
    Rawat, DS
    Maulik, PR
    Sarkhel, S
    Broder, CK
    Howard, JAK
    [J]. TETRAHEDRON LETTERS, 2001, 42 (40) : 7115 - 7117
  • [5] 1,3-BIS[4,6-BIS(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PROPANE
    BISWAS, G
    CHANDRA, T
    AVASTHI, K
    MAULIK, PR
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 : 2453 - 2455
  • [6] *BRUK AXS INC, 1997, SHELXTL VERS 5 10
  • [7] Desiraju G. R., 1999, The Weak Hydrogen Bond
  • [8] SUPRAMOLECULAR SYNTHONS IN CRYSTAL ENGINEERING - A NEW ORGANIC-SYNTHESIS
    DESIRAJU, GR
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (21): : 2311 - 2327
  • [9] Aromatic interactions
    Hunter, CA
    Lawson, KR
    Perkins, J
    Urch, CJ
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 2001, (05): : 651 - 669
  • [10] A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule
    Maulik, PR
    Avasthi, K
    Biswas, G
    Biswas, S
    Rawat, DS
    Sarkhel, S
    Chandra, T
    Bhakuni, DS
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1998, 54 : 275 - 277
12