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

Wayland E. Noland, Janel L. Rieger, Zoe H. Tu, Kenneth J. Tritch

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

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)°.

Original languageEnglish (US)
Pages (from-to)1743-1746
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
Volume73
DOIs
StatePublished - 2017

Bibliographical note

Funding Information:
The authors thank Victor G. Young, Jr. (X-Ray Crystallographic Laboratory, University of Minnesota) for assistance with the crystallographic determination, the Wayland E. Noland Research Fellowship Fund at the University of Minnesota Foundation for generous financial support of this project, and Doyle Britton (deceased July 7, 2015) for providing the basis of this project. This work was taken in large part from the PhD thesis of KJT (Tritch, 2017).

Keywords

  • N⋯Br contacts
  • carboxylic acid
  • co-crystal
  • crystal structure

Fingerprint Dive into the research topics of 'A 2:1 co-crystal of 3,5-dibromo-4-cyanobenzoic acid and anthracene'. Together they form a unique fingerprint.

Cite this