2,3-Dibromo-3-phenylpropanoic acid: a monoclinic polymorph

  • Trent R. Howard
  • Kaleh A. Mendez-deMello
  • Allan Jay P. Cardenas
Publication date
November 2016
Publisher
International Union of Crystallography
ISSN
2414-3146
Journal
issn:2414-3146

Abstract

Bromination of trans-cinnamic acid resulted in the formation of 2,3-dibromo-3-phenylpropanoic acid, C9H8Br2O2. Crystallization from ethanol–water (1:1) gave crystals of different shapes. One is in the form of rods, that crystallized as the orthorhombic polymorph (Pnma), and whose structure has been described [Thong et al. (2008). Acta Cryst. E64, o1946]. The other are thin plate-like crystals which are the monoclinic polymorph (P21/n). The structure of this monoclinic polymorph is similar to that of the orthorhombic polymorph; here the aliphatic C atoms are disordered over three sets of sites (occupancy ratio 0.5:0.25:0.25). In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers with an R22(8) ring...

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