Literature DB >> 21583977

Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Jie Xiao1, Hong Zhao.   

Abstract

The title compound, C(15)H(13)N(3)O(4), was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxyl-ate and 4-(bromo-meth-yl)benzonitrile. The inter-planar angle between the pyrazole and cyano-benzyl ring planes is 71.74 (17)° and an intramolecular C-H⋯O interaction occurs. The crystal structure is stabilized by π-π stacking inter-actions between the neighbouring pyrazole and benzene rings [centroid-centroid distances of 3.5074 (16) and 3.9401 (15) Å, respectively]. One of the methyl groups is disordered over two positions of equal occupancy.

Entities:  

Year:  2009        PMID: 21583977      PMCID: PMC2977840          DOI: 10.1107/S1600536809015578

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


  5 in total

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Authors:  Wei Dai; Wen-Xiang Wang; Yu-Yuan Zhao; Hong Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-05-07

3.  (4-Cyano-phen-yl)methyl-ene diacetate.

Authors:  Jie Xiao; Hong Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-05-03

4.  4,4'-(Oxydimethyl-ene)dibenzonitrile.

Authors:  Jie Xiao; Hong Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-07-09

5.  3,3'-{1,1'-Methyl-enebis[naphthalene-2,1-diylbis(oxymethyl-ene)]}dibenzonitrile.

Authors:  Jie Xiao; Hong Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-05-03
  5 in total
  1 in total

1.  Tris(ethyl-enediamine)-nickel(II) 1H-pyrazole-3,5-dicarboxyl-ate 1.67-hydrate.

Authors:  Güneş Demirtaş; Necmi Dege; Okan Zafer Yeşilel; Hakan Erer; Orhan Büyükgüngör
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-07-14
  1 in total

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