A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene

The title co-crystal, C(8)H(3)Br(2)NO(2)·0.5C(14)H(10), was self-assembled from a 2:1 mixture of the components in slowly evaporating di­chloro­methane. The mol­ecules adopt a sheet structure parallel to (1-12) in which carb­oxy hydrogen-bonded dimers and anthracene mol­ecules stagger in both dimens...

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Autores principales: Noland, Wayland E., Rieger, Janel L., Tu, Zoe H., Tritch, Kenneth J.
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/PMC5683504/
https://www.ncbi.nlm.nih.gov/pubmed/29152364
http://dx.doi.org/10.1107/S2056989017014815
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author Noland, Wayland E.
Rieger, Janel L.
Tu, Zoe H.
Tritch, Kenneth J.
author_facet Noland, Wayland E.
Rieger, Janel L.
Tu, Zoe H.
Tritch, Kenneth J.
author_sort Noland, Wayland E.
collection PubMed
description The title co-crystal, C(8)H(3)Br(2)NO(2)·0.5C(14)H(10), was self-assembled from a 2:1 mixture of the components in slowly evaporating di­chloro­methane. The mol­ecules adopt a sheet structure parallel to (1-12) in which carb­oxy hydrogen-bonded dimers and anthracene mol­ecules stagger in both dimensions. Within the sheets, six individual cyano acid mol­ecules surround each anthracene mol­ecule. Cyano acid mol­ecules form one of the two possible R (2) (2)(10) rings between neighboring cyano and bromo groups. Compared to the di­chloro analog [Britton (2012 ▸). J. Chem. Crystallogr. 42, 851–855], the dihedral angle between the best-fit planes of acid and anthracene mol­ecules has decreased from 7.1 to 0.9 (2)°.
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spelling pubmed-56835042017-11-17 A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene Noland, Wayland E. Rieger, Janel L. Tu, Zoe H. Tritch, Kenneth J. Acta Crystallogr E Crystallogr Commun Research Communications The title co-crystal, C(8)H(3)Br(2)NO(2)·0.5C(14)H(10), was self-assembled from a 2:1 mixture of the components in slowly evaporating di­chloro­methane. The mol­ecules adopt a sheet structure parallel to (1-12) in which carb­oxy hydrogen-bonded dimers and anthracene mol­ecules stagger in both dimensions. Within the sheets, six individual cyano acid mol­ecules surround each anthracene mol­ecule. Cyano acid mol­ecules form one of the two possible R (2) (2)(10) rings between neighboring cyano and bromo groups. Compared to the di­chloro analog [Britton (2012 ▸). J. Chem. Crystallogr. 42, 851–855], the dihedral angle between the best-fit planes of acid and anthracene mol­ecules has decreased from 7.1 to 0.9 (2)°. International Union of Crystallography 2017-10-20 /pmc/articles/PMC5683504/ /pubmed/29152364 http://dx.doi.org/10.1107/S2056989017014815 Text en © Noland et al. 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
Noland, Wayland E.
Rieger, Janel L.
Tu, Zoe H.
Tritch, Kenneth J.
A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title_full A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title_fullStr A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title_full_unstemmed A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title_short A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
title_sort 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683504/
https://www.ncbi.nlm.nih.gov/pubmed/29152364
http://dx.doi.org/10.1107/S2056989017014815
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