Crystal structure of 3-(4,4-di-fluoro-5,7-dimethyl-4-bora-3a,4a-di-aza- s-indacen-3-yl)propanoic acid

Acta Crystallogr E Crystallogr Commun. 2017 Nov 30;73(Pt 12):1974-1976. doi: 10.1107/S2056989017016942. eCollection 2017 Dec 1.

Abstract

The crystal structure of the title compound, C14H15BF2N2O2, which comprises a boron-dipyrromethene (BODIPY) backbone and a propionic acid group, has been determined at 100 K. The BODIPY fused-ring system is nearly planar, with a maximum deviation from the mean plane of 0.032 (2) Å. In the crystal, pairs of O-H⋯O hydrogen bonds connect the mol-ecules, forming inversion dimers. The dimers are linked via C-H⋯O hydrogen bonds, forming a tape along the a axis. The tapes are stacked along the c axis through C-H⋯F hydrogen bonds and π-π inter-actions.

Keywords: BODIPY; crystal structure; fluorescence.

Grants and funding

This work was funded by Osaka University grant CR-16–05.