The title compound, C(12)H(8)ClN(3)O(3), in the crystalline state and in solution, exists in the azo form, as predicted by density functional theory (DFT) calculations. The mol-ecule is approximately planar [the dihedral angle between the rings is 1.83 (8)°], with the nitro group slightly twisted [13.4 (2)°] relative to the benzene ring. Translationally related mol-ecules form stacks along [010] with an inter-planar distance of 3.400 (2) Å. The hydroxy group forms an intramolecular hydrogen bond with the azo N atom.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968552 | PMC |
http://dx.doi.org/10.1107/S1600536809003675 | DOI Listing |
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