Twinning in 5-fluorosalicylic acid: description of a new polymorph

Publication date

2018-01

Authors

Lutz, MartinORCID 0000-0003-1524-9629ISNI 0000000352600916
Vliem, Jara F.ISNI 000000050777994X
Rodenburg, Hendrik P.ISNI 0000000512590009

Editors

Advisors

Supervisors

Document Type

Article
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License

taverne

Abstract

The crystal structure of 5-fluorosalicylic acid is known from the literature [Choudhury & Guru Row (2004). Acta Cryst. E60, o1595-o1597] as crystallizing in the monoclinic crystal system with space-group setting P2(1)/n and with one molecule in the asymmetric unit (polymorph I). We describe here a new polymorph which is again monoclinic but with different unit-cell parameters (polymorph II). Polymorph II has two molecules in the asymmetric unit. Its structure was modelled as a twin, with a pseudo-orthorhombic C-centred twin cell.

Keywords

fluorosalicylic acid, crystal structure, polymorphism, twinning, thermal expansion, O—H...F hydrogen bonds, fluorine interactions, Taverne

Citation

Lutz, M, Vliem, J F & Rodenburg, H P 2018, 'Twinning in 5-fluorosalicylic acid : description of a new polymorph', Acta crystallographica. Section C, Structural chemistry, vol. 74, no. 1, pp. 1-6. https://doi.org/10.1107/S2053229617017077