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

Research output: Contribution to journalArticle

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
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number12
DOIs
Publication statusPublished - Dec 2011

Fingerprint

Pyrazines
pyrazines
Hydrogen bonds
hydrogen bonds
Molecules
molecules
Benzoic Acid
Benzoic acid
rings
benzoic acid
Dihedral angle
Benzene
linkages
dihedral angle
Hydrogen
benzene
inversions
Crystals
acids
Acids

Keywords

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

ASJC Scopus subject areas

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

Cite this

4-Chloro-2-nitrobenzoic acidpyrazine (2/1). / Gotoh, Kazuma; Ishida, Hiroyuki.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 12, 12.2011.

Research output: Contribution to journalArticle

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N2 - 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.

AB - 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.

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KW - wR factor = 0.081

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