N-Cinnamo­ylsaccharin

The title compound [systematic name: 2‐cinnamoyl‐1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide], C16H11NO4S, contains both saccharin and cinnamo­yl groups. The mol­ecule is approximately planar in the solid state, and adjacent mol­ecules are connected by C—H·O and C—H·π(phen­yl) inter­actions. In the C—H...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2005-04, Vol.61 (4), p.o243-o245
Main Authors: Ersanlı, Cem Cüneyt, Odabaşoğlu, Mustafa, Sarı, Uğur, Erdönmez, Ahmet
Format: Article
Language:English
Subjects:
Chemical compounds
Molecular structure
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Summary:The title compound [systematic name: 2‐cinnamoyl‐1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide], C16H11NO4S, contains both saccharin and cinnamo­yl groups. The mol­ecule is approximately planar in the solid state, and adjacent mol­ecules are connected by C—H·O and C—H·π(phen­yl) inter­actions. In the C—H·π inter­action, the C·CgA distance is 3.916 (4) Å (CgA is the non‐fused benzene ring centroid) and the C—H·π angle is 156 (2)°. A feature of the mol­ecular geometry is the narrow C—S—N angle of 92.51 (9)° in the five‐membered ring. This angle relieves strain from the ring and makes it possible for the whole saccharin group to become quite planar.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270105005160