Abstract
The title compound, C14H13NO4S, an analogue of capsaicin, differs from the latter by having a 1,3-benzodioxole ring rather than a 2-methoxyphenol moiety, and having a benzenesulfonamide group instead of an aliphatic amide chain. The five-membered ring is in an envelope conformation with the methylene C atom lying 0.221 (6) Å out of the plane formed by the other four atoms. The dihedral angle between the phenyl ring and the mean plane of the 1,3-benzodioxole fused-ring system is 84.65 (4)°. In the crystal, molecules aggregate into supramolecular layers in the ac plane through C—H⋯O, N—H⋯O and C—H⋯π interactions.
Highlights
The title compound, C14H13NO4S, an analogue of capsaicin, differs from the latter by having a 1,3-benzodioxole ring rather than a 2-methoxyphenol moiety, and having a benzenesulfonamide group instead of an aliphatic amide chain
The five-membered ring is in an envelope conformation with the methylene C atom lying 0.221 (6) Aout of the plane formed by the other four atoms
Molecules aggregate into supramolecular layers in the ac plane through C—HÁ Á ÁO, N—HÁ Á ÁO and C—HÁ Á Á interactions
Summary
Key indicators: single-crystal X-ray study; T = 290 K; mean (C–C) = 0.003 A; R factor = 0.051; wR factor = 0.149; data-to-parameter ratio = 14.7. The title compound, C14H13NO4S, an analogue of capsaicin, differs from the latter by having a 1,3-benzodioxole ring rather than a 2-methoxyphenol moiety, and having a benzenesulfonamide group instead of an aliphatic amide chain. The five-membered ring is in an envelope conformation with the methylene C atom lying 0.221 (6) Aout of the plane formed by the other four atoms. The dihedral angle between the phenyl ring and the mean plane of the 1,3-benzodioxole fusedring system is 84.65 (4). Molecules aggregate into supramolecular layers in the ac plane through C—HÁ Á ÁO, N—HÁ Á ÁO and C—HÁ Á Á interactions
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section E Structure Reports Online
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
