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Crystal structure of a second monoclinic polymorph of 3-meth-oxy-benzoic acid with Z' = 1.

Tze Shyang ChiaHuey Chong KwongQin Ai WongChing Kheng QuahMd Azharul Arafath
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
A new polymorphic form of the title compound, C8H8O3, is described in the centrosymmetric monoclinic space group P21/c with Z' = 1 as compared to the first polymorph, which crystallizes with two conformers (Z' = 2) in the asymmetric unit in the same space group. In the crystal of the second polymorph, inversion dimers linked by O-H⋯O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C-H⋯O links. The crystal structure also features a weak π-π inter-action, with a centroid-to-centroid distance of 3.8018 (6) Å. The second polymorph of the title compound is less stable than the reported first polymorph, as indicated by its smaller calculated lattice energy.
Keyphrases
  • crystal structure
  • magnetic resonance imaging