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

ABSTRACT: 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 ?-? 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.

SUBMITTER: Chia TS

PROVIDER: S-EPMC6323879 | biostudies-other | 2019 Jan

REPOSITORIES: biostudies-other

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

Chia Tze Shyang TS Kwong Huey Chong HC Wong Qin Ai QA Quah Ching Kheng CK Arafath Md Azharul MA

Acta crystallographica. Section E, Crystallographic communications 20190101 Pt 1

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 ...[more]

PMID: 30713724

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