5-Chloro-1-[(E)-3-(dimethyl­amino)­acrylo­yl]-3-methyl-1H-benzimidazol-2(3H)-one–6-chloro-1-[(E)-3-(dimethyl­amino)­acrylo­yl]-3-methyl-1H-benzimid­azol-2(3H)-one (4/1)
2011

Study of a New Chemical Compound

publication Evidence: moderate

Author Information

Author(s): Dardouri Rachida, Rodi Yousef Kandri, Saffon Natalie, Essassi El Mokhtar, Ng Seik Weng

Primary Institution: Laboratoire de Chimie Organique Appliquée, Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdallah, Fés, Morocco

Hypothesis

The reaction of 7-chloro-1,5-benzodiazepine-2,4-dione with N,N-dimethylformamide/dimethylacetal will yield a new compound with specific structural characteristics.

Conclusion

The study successfully identified two isomers of a new compound formed from the reaction, which co-crystallize in a specific ratio.

Supporting Evidence

  • The reaction produced two isomers of the compound.
  • The major isomer has a chlorine atom in the 5-position, while the minor has it in the 6-position.
  • The two isomers form a disordered co-crystal in a 4:1 ratio.

Takeaway

Scientists mixed two chemicals to create a new compound, and they found that it can exist in two different forms.

Methodology

The reaction involved heating 7-chloro-1,5-benzodiazepine-2,4-dione with N,N-dimethylformamide/dimethylacetal at 373 K for 4 hours.

Digital Object Identifier (DOI)

10.1107/S1600536811024706

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