3-(2-Methyl­benzyl­idene)-2,3-dihydro-1,5-benzothia­zepin-4(5H)-one
2011

Crystal Structure of a New Compound

publication Evidence: moderate

Author Information

Author(s): Sridevi D., Bhaskaran Sundari, Usha G., Murugan G., Bakthadoss M.

Primary Institution: Queen Mary’s College, Chennai, India

Hypothesis

The study aims to determine the crystal structure of the title compound, which is an intermediate for the synthesis of dosulepin.

Conclusion

The crystal structure reveals that the compound forms centrosymmetric dimers through N—H⋯O hydrogen bonds.

Supporting Evidence

  • The compound is used as an intermediate for the synthesis of dosulepin, an antidepressant.
  • The seven-membered thiepin ring adopts a distorted half-chair conformation.
  • The molecules form centrosymmetric dimers through N—H⋯O hydrogen bonds.

Takeaway

Scientists looked at a new chemical compound to see how its atoms are arranged. They found that the molecules stick together in pairs.

Methodology

The crystal structure was determined using X-ray diffraction techniques.

Digital Object Identifier (DOI)

10.1107/S1600536810052888

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