Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styryl]-1,3,4-oxathiazol-2-one
نویسندگان
چکیده
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.
منابع مشابه
The crystal structures of two isomers of 5-(phenylisothiazolyl)-1,3,4-oxathiazol-2-one
The syntheses and crystal structures of two isomers of phenyl iso-thia-zolyl oxa-thia-zolone, C11H6N2O2S2, are described [systematic names: 5-(3-phenyl-iso-thia-zol-5-yl)-1,3,4-oxa-thia-zol-2-one, (I), and 5-(3-phenyl-iso-thia-zol-4-yl)-1,3,4-oxa-thia-zol-2-one, (II)]. There are two almost planar (r.m.s. deviations = 0.032 and 0.063 Å) mol-ecules of isomer (I) in the asymmetric unit, which form...
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عنوان ژورنال:
دوره 73 شماره
صفحات -
تاریخ انتشار 2017