ABSTRACT
The six-membered oxacyclo-hexene ring of the title compound, C(13)H(14)N(2)O(2)S, is fused with the benzene ring and the quarternary C atom lies above the plane of the benzene ring by 0.229â (8)â Å, whereas the methine C atom (which bears the acetyl substituent) lies below this plane by 0.595â (8)â Å. The oxacyclo-hexene ring is also fused with the sofa-shaped 2,6-diaza-cyclo-hexa-none ring. The methine C atom that belongs to both six-membered rings lies above the mean plane of the other five atoms (r.m.s. deviation = 0.077â Å) by 0.759â (5)â Å. In the crystal, N-Hâ¯S hydrogen bonds link adjacent mol-ecules into a linear chain.
ABSTRACT
The organic molecule in the title hydrate, C(9)H(9)N(3)O(3)·H(2)O, was obtained by the condenstation of salicylic aldehyde with urea in acetonitrile. The oxazine ring adopts a slightly distorted sofa conformation, with the N atom deviating from the plane passing through the other atoms of the ring by 0.267â (2)â Å. The crystal structure displays inter-molecular N-Hâ¯O and O-Hâ¯O hydrogen bonding.