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Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styr-yl]-1,3,4-oxa-thia-zol-2-one.
Nason, Trevor R; Schriver, Melbourne J; Hendsbee, Arthur D; Masuda, Jason D.
Afiliación
  • Nason TR; Department of Chemistry, Crandall University, PO Box 6004, Moncton, New Brunswick, Canada.
  • Schriver MJ; Department of Chemistry, Crandall University, PO Box 6004, Moncton, New Brunswick, Canada.
  • Hendsbee AD; The Atlantic Centre for Green Chemistry and the Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada.
  • Masuda JD; The Atlantic Centre for Green Chemistry and the Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 9): 1298-1301, 2017 Sep 01.
Article en En | MEDLINE | ID: mdl-28932459
The title compound, C10H7NO2S, provides the first structure of an α-alkenyl oxa-thia-zolone ring. The phenyl ring and the oxa-thia-zolone 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 mol-ecules.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2017 Tipo del documento: Article País de afiliación: Canadá

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2017 Tipo del documento: Article País de afiliación: Canadá
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