A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene

The title co-crystal, C H Br NO ·0.5C H , was self-assembled from a 2:1 mixture of the components in slowly evaporating di-chloro-methane. The mol-ecules adopt a sheet structure parallel to (1-12) in which carb-oxy hydrogen-bonded dimers and anthracene mol-ecules stagger in both dimensions. Within t...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Vol. 73; no. Pt 11; pp. 1743 - 1746
Main Authors: Noland, Wayland E, Rieger, Janel L, Tu, Zoe H, Tritch, Kenneth J
Format: Journal Article
Language:English
Published: England International Union of Crystallography 01-11-2017
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Summary:The title co-crystal, C H Br NO ·0.5C H , was self-assembled from a 2:1 mixture of the components in slowly evaporating di-chloro-methane. The mol-ecules adopt a sheet structure parallel to (1-12) in which carb-oxy hydrogen-bonded dimers and anthracene mol-ecules stagger in both dimensions. Within the sheets, six individual cyano acid mol-ecules surround each anthracene mol-ecule. Cyano acid mol-ecules form one of the two possible (10) rings between neighboring cyano and bromo groups. Compared to the di-chloro analog [Britton (2012 ▸). , 851-855], the dihedral angle between the best-fit planes of acid and anthracene mol-ecules has decreased from 7.1 to 0.9 (2)°.
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ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017014815