4-Chloro-2-nitrobenzoic acidpyrazine (2/1)

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1 Citation (Scopus)

Abstract

In the title co-crystal, 2C7H4ClNO 4·C4H4N2, the pyrazine molecule is located on an inversion centre, so that the asymmetric unit consists of one molecule of 4-chloro-2-nitrobenzoic acid and a half-molecule of pyrazine. The components are connected by O-H⋯N and C - H⋯O hydrogen bonds, forming a 2:1 unit. In the hydrogen-bonded unit, the dihedral angle between the pyrazine ring and the benzene ring of the benzoic acid is 16.55 (4)°. The units are linked by intermolecular C-H⋯O hydrogen bonds, forming a sheet structure parallel to (1̄04). A C-H⋯O hydrogen-bond linkage is also observed between these sheets.

Original languageEnglish
Pages (from-to)o3222
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number12
DOIs
Publication statusPublished - Dec 2011

Keywords

  • R factor = 0.029
  • T = 110 K
  • data-to-parameter ratio = 19.0
  • mean σ(C-C) = 0.001 Å
  • single-crystal X-ray study
  • wR factor = 0.081

ASJC Scopus subject areas

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

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