Literature DB >> 12050430

A dimeric layered structure of a 4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine compound.

Kamlakar Avasthi1, Diwan S Rawat, Sanjay Sarkhel, Prakas R Maulik.   

Abstract

The title compound, 6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one, C(15)H(16)N(4)OS, 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 (1)H NMR analysis in solution. In addition, the crystal packing reveals the formation of a layered structure, due mainly to intermolecular N[bond]H...O[double bond]C hydrogen bonding and arene-arene interactions.

Entities:  

Year:  2002        PMID: 12050430     DOI: 10.1107/s0108270102006649

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  2 in total

1.  Pyrazolo[3,4-d]pyrimidines as inhibitor of anti-coagulation and inflammation activities of phospholipase A 2 : insight from molecular docking studies.

Authors:  Umesh Yadava; Maheshwer Singh; Mihir Roychoudhury
Journal:  J Biol Phys       Date:  2013-02-23       Impact factor: 1.365

2.  Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1H-pyra-zolo[3,4-d]pyrimidin-1-yl)acetic acid.

Authors:  Ezaddine Irrou; Younesse Ait Elmachkouri; Ali Oubella; Hassan Ouchtak; Samira Dalbouha; Joel T Mague; Tuncer Hökelek; Lhoussaine El Ghayati; Nada Kheira Sebbar; Mohamed Labd Taha
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-08-31
  2 in total

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