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