Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate

Noriko Chikaraishi Kasuga, Yusuke Saito, Hiroyasu Sato, Kazuo Yamaguchi, H. Ishida

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


The title compound, C11H13NO6, shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P21/c. The molecular structures in the two polymorphs are essentially similar and adopt a planar structure, the maximum deviations for the non-H atoms being 0.1836 (13) and 0.1276 (13) Å, respectively, for the orange and yellow forms. In the orange crystal, molecules are linked by an intermolecular C - H⋯O interaction into a helical chain along the b-axis direction. The chains are stacked along the c axis through a π-π interaction [centroid-centroid distance = 3.6087 (11) Å], forming a layer parallel to the bc plane. In the yellow crystal, molecules are connected through C - H⋯O interactions into a sheet structure parallel to (302). No significant π-π interaction is observed. The unit-cell volume of the orange crystal is larger than that of the yellow one, and this accounts for the predominant growth of the yellow crystal.

Original languageEnglish
Pages (from-to)483-486
Number of pages4
JournalActa Crystallographica Section E: Structure Reports Online
Issue number5
Publication statusPublished - May 1 2015


  • 2-nitrobenzyl ester
  • C - H⋯O interactions
  • Crystal structure
  • Packing polymorphism
  • π-π interactions

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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