Literature DB >> 21580361

7-(4-Chloro-phen-yl)-9-phenyl-7H-pyrrolo[3,2-e]tetra-zolo[1,5-c]pyrimidine.

Rina D Shah, Mukesh M Jotani, Jerry P Jasinski.   

Abstract

In the title compound, C(18)H(11)ClN(6), the pyrrole, pyrimidine and tetra-zole rings form a nearly planar fused trihetrocyclic system with an r.m.s. deviation of 0.0387 (13) Å, to which the 4-chloro-phenyl group and the phenyl group are substituted at the 7 and 9 positions, respectively. The dihedral angles between the pyrrole ring and the 4-chloro-phenyl and phenyl rings are 32.1 (4) and 7.87 (7)°, respectively. In the crystal, weak inter-molecular C-H⋯N and C-H⋯Cl hydrogen bonds link the mol-ecules into a layer parallel to the (001) plane. The layers are further connected by π-π stacking inter-actions [centroid-centroid distances: 3.8413 (8) and 3.5352 (8) Å]. Intra-molecular C-H⋯N hydrogen bonds are also present.

Entities:  

Year:  2010        PMID: 21580361      PMCID: PMC2983688          DOI: 10.1107/S160053681000485X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  5 in total

1.  Synthesis and characterization of fluorinated and iodinated pyrrolopyrimidines as PET/SPECT ligands for the CRF1 receptor.

Authors:  L Martarello; C D Kilts; T Ely; M J Owens; C B Nemeroff; M Camp; M M Goodman
Journal:  Nucl Med Biol       Date:  2001-02       Impact factor: 2.408

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase.

Authors:  Aleem Gangjee; Hiteshkumar D Jain; Roy L Kisliuk
Journal:  Bioorg Med Chem Lett       Date:  2005-05-02       Impact factor: 2.823

4.  7-(4-Methoxy-phen-yl)-5-methyl-9-phenyl-7H-pyrrolo[2',3':4,5]pyrimido[1,6-d]tetrazole.

Authors:  Mukesh M Jotani; Rina D Shah; Jerry P Jasinski
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-12-19

5.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  5 in total
  1 in total

1.  12-(4-Methoxy-phen-yl)-10-phenyl-3,4,5,6,8,10-hexa-azatricyclo-[7.3.0.0]dodeca-1(9),2,4,7,11-penta-ene.

Authors:  Mukesh M Jotani; Rina D Shah; Edward R T Tiekink
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-03-13
  1 in total

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