(R)-Baclofen [(R)-4-amino-3-(4-chloro-phen-yl)butanoic acid]

Feodor Belov; Alexander Villinger; Jan von Langermann

doi:10.1107/S2056989021012809

(R)-Baclofen [(R)-4-amino-3-(4-chloro-phen-yl)butanoic acid]

Acta Crystallogr E Crystallogr Commun. 2022 Jan 1;78(Pt 1):33-35. doi: 10.1107/S2056989021012809.

Authors

Feodor Belov¹, Alexander Villinger², Jan von Langermann¹

Affiliations

¹ University of Rostock, Institute of Chemistry, Biocatalytic synthesis group, Albert-Einstein-Str. 3A, 18059 Rostock, Germany.
² University of Rostock, Institute of Chemistry, X-ray structure analytics, Albert-Einstein-Str. 3A, 18059 Rostock, Germany.

Abstract

This article provides the first single-crystal XRD-based structure of enanti-opure (R)-baclofen (form C), C₁₀H₁₂ClNO₂, without any co-crystallized substances. In the enanti-opure title compound, the mol-ecules arrange themselves in an ortho-rhom-bic crystal structure (space group P2₁2₁2₁). In the crystal, strong hydrogen bonds and C-H⋯Cl bonds inter-connect the zwitterionic mol-ecules.

Keywords: (R)-baclofen; crystal structure; enantiopure; hydrogen bonds.

Grants and funding

This work was funded by Bundesministerium für Wirtschaft und Energie grant ZF4402103CR9 to Dr Jan von Langermann.