Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styryl]-1,3,4-oxathiazol-2-one

Acta Crystallographica Section E: Crystallographic Communications

Melbourne J. Schriver¹  Trevor R. Nason¹  Arthur D. Hendsbee²  Jason D. Masuda² 

[1] Department of Chemistry, Crandall University, PO Box 6004, Moncton, New Brunswick, Canada;The Atlantic Centre for Green Chemistry and the Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada;

关键词: crystal structure;    oxathiazolone;    nitrile sulfide;    styryl;    cinnamamide;    conjugations;   

DOI  :  10.1107/S2056989017011264

来源: DOAJ

【 摘 要 】

The title compound, C10H7NO2S, provides the first structure of an α-alkenyl oxathiazolone ring. The phenyl ring and the oxathiazolone groups make dihedral angles of 0.3 (3) and −2.8 (3)°, respectively, with the plane of the central alkene group; the dihedral angle between the rings is 2.68 (8)°. A careful consideration of bond lengths provides insight into the electronic structure and reactivity of the title compound. In the crystal, extended π-stacking is observed parallel to the a-axis direction, consisting of cofacial head-to-tail dimeric units [centroid–centroid distance of 3.6191 (11) Å]. These dimeric units are separated by a slightly longer centroid–centroid distance of 3.8383 (12) Å, generating infinite stacks of molecules.

【 授权许可】

Unknown