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Crystal structure of a second monoclinic polymorph of 3-meth­oxy­benzoic acid with Z′ = 1

A new polymorphic form of the title compound, C(8)H(8)O(3), is described in the centrosymmetric monoclinic space group P2(1)/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...

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Detalles Bibliográficos
Autores principales: Chia, Tze Shyang, Kwong, Huey Chong, Wong, Qin Ai, Quah, Ching Kheng, Arafath, Md. Azharul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323879/
https://www.ncbi.nlm.nih.gov/pubmed/30713724
http://dx.doi.org/10.1107/S2056989018016900
Descripción
Sumario:A new polymorphic form of the title compound, C(8)H(8)O(3), is described in the centrosymmetric monoclinic space group P2(1)/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 inter­action, 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.