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

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 ?-? inter-actions.

SUBMITTER: Kato T 

PROVIDER: S-EPMC5730264 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature

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

Kato Takuma T   Doi Mitsunobu M  

Acta crystallographica. Section E, Crystallographic communications 20171130 Pt 12

The crystal structure of the title compound, C<sub>14</sub>H<sub>15</sub>BF<sub>2</sub>N<sub>2</sub>O<sub>2</sub>, 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 <i>via</i> C-H⋯O hydrogen bonds, forming a t  ...[more]

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