Solid-State Characterization of 2-[(2,6-Dichlorophenyl)amino]-Benzaldehyde: An Experimental and Theoretical Investigation

Peng Chen, Yuanyuan Jin, Panpan Zhou, Sean Parkin, Zhifei Zhang, Sihui Long

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


The solid-state properties of 2-[(2,6-dichlorophenyl)amino]-benzaldehyde (DCABA) were investigated. Unlike its precursor diclofenac acid, for which three polymorphs are currently known, only one crystalline form of DCABA was found. It was further characterized by other spectroscopic and spectrometric methods including IR, Raman, and UV–vis spectroscopy and powder X-ray diffraction (PXRD). The thermal behavior of the crystalline form was studied by differential scanning calorimetry (DSC). Theoretical studies, including Hirshfeld surface analysis and conformational energy searches, were performed to provide insight into the factors contributing to the stability of the crystal and to assess the possibility of additional polymorphs. The full characterization of this compound can help fast and accurate identification of DCABA both in dosage forms and in the environment.

Original languageEnglish
Pages (from-to)531-538
Number of pages8
JournalJournal of the Chinese Chemical Society
Issue number5
StatePublished - May 1 2017

Bibliographical note

Funding Information:
SL thanks the Natural Science Foundation of Hubei Province (2014CFB787) and the Innovation Fund from Wuhan Institute of Technology (CX2014002) for financial support. PPZ acknowledges financial support by the National Natural Science Foundation of China (Grant No. 21403097) and the Fundamental Research Funds for the Central Universities (lzujbky-2014-182).


  • 2-[(2,6-Dichlorophenyl)amino]-benzaldehyde
  • Conformational search
  • Crystal structure
  • Hirshfeld surface analysis
  • Spectroscopy

ASJC Scopus subject areas

  • Chemistry (all)


Dive into the research topics of 'Solid-State Characterization of 2-[(2,6-Dichlorophenyl)amino]-Benzaldehyde: An Experimental and Theoretical Investigation'. Together they form a unique fingerprint.

Cite this