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

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dc.creator Nason, Trevor R.
dc.creator Schriver, Melbourne J.
dc.creator Hendsbee, Arthur D.
dc.creator Masuda, Jason Douglas, 1977-
dc.date.accessioned 2021-09-24T13:18:44Z
dc.date.available 2021-09-24T13:18:44Z
dc.date.issued 2017-08-04
dc.identifier.issn 2056-9890
dc.identifier.uri http://library2.smu.ca/xmlui/handle/01/29930
dc.description Published Version en_CA
dc.description.abstract 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. en_CA
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dc.language.iso en en_CA
dc.publisher International Union of Crystallography en_CA
dc.relation.uri https://doi.org/10.1107/S2056989017011264
dc.rights <a rel="license" href="http://creativecommons.org/licenses/by/4.0/"><img alt="Creative Commons License" style="border-width:0" src="https://i.creativecommons.org/l/by/4.0/80x15.png" /></a> This work is licensed under a <a rel="license" href="http://creativecommons.org/licenses/by/4.0/">Creative Commons Attribution 4.0 International License</a>
dc.title Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styryl]-1,3,4-oxathiazol-2-one en_CA
dc.type Text en_CA
dcterms.bibliographicCitation Acta Cryst E73, 1298–1301. (2017) en_CA
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Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License
 
Published Version: https://doi.org/10.1107/S2056989017011264
 
 

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