Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styr-yl]-1,3,4-oxa-thia-zol-2-one.
Acta Crystallogr E Crystallogr Commun
; 73(Pt 9): 1298-1301, 2017 Sep 01.
Article
en En
| MEDLINE
| ID: mdl-28932459
ABSTRACT
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 0.3â
(3) and -2.8â
(3)°, respectively, with the plane of the central alkene group; the dihedral angle between the rings is 2.68â
(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 3.6191â
(11)â
Å]. These dimeric units are separated by a slightly longer centroid-centroid distance of 3.8383â
(12)â
Å, generating infinite stacks of mol-ecules.
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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