Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid

The crystal structure of the title compound, C(14)H(15)BF(2)N(2)O(2), 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...

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Detalles Bibliográficos
Autores principales: Kato, Takuma, Doi, Mitsunobu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730264/
https://www.ncbi.nlm.nih.gov/pubmed/29250427
http://dx.doi.org/10.1107/S2056989017016942
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author Kato, Takuma
Doi, Mitsunobu
author_facet Kato, Takuma
Doi, Mitsunobu
author_sort Kato, Takuma
collection PubMed
description The crystal structure of the title compound, C(14)H(15)BF(2)N(2)O(2), 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 mol­ecules, 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 inter­actions.
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spelling pubmed-57302642017-12-15 Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid Kato, Takuma Doi, Mitsunobu Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, C(14)H(15)BF(2)N(2)O(2), 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 mol­ecules, 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 inter­actions. International Union of Crystallography 2017-11-30 /pmc/articles/PMC5730264/ /pubmed/29250427 http://dx.doi.org/10.1107/S2056989017016942 Text en © Kato and Doi 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Kato, Takuma
Doi, Mitsunobu
Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title_full Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title_fullStr Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title_full_unstemmed Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title_short Crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
title_sort crystal structure of 3-(4,4-di­fluoro-5,7-dimethyl-4-bora-3a,4a-di­aza-s-indacen-3-yl)propanoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730264/
https://www.ncbi.nlm.nih.gov/pubmed/29250427
http://dx.doi.org/10.1107/S2056989017016942
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AT doimitsunobu crystalstructureof344difluoro57dimethyl4bora3a4adiazasindacen3ylpropanoicacid

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