Abstract
The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intramolecular C—H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules. There are π–π contacts between the benzene rings [centroid–centroid distances = 3.752 (3) and 3.874 (3) Å].
Highlights
The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)
Intramolecular C—HÁ Á ÁO hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HK2576)
Summary
Key indicators: single-crystal X-ray study; T = 294 K; mean (C–C) = 0.006 A; R factor = 0.076; wR factor = 0.170; data-to-parameter ratio = 13.1. The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3). Intramolecular C—HÁ Á ÁO hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. Intermolecular C—HÁ Á ÁO hydrogen bonds link the molecules. There are – contacts between the benzene rings [centroid– centroid distances = 3.752 (3) and 3.874 (3) A ]. Related literature For general background, see: Suzuki et al (1994). See: Xinhua et al (2003). For bond-length data, see: Allen et al (1987)
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