3,3'-(Ethane-1,2-diyl)bis(6-meth-oxy-3,4-dihydro-2H-1,3-benzoxazine) mono-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(24)N(2)O(4)·H(2)O, contains one half-organic mol-ecule (an inversion centre generates the other half of the mol-ecule) and a half-mol-ecule of water (the O atom has site symmetry 2). The near planarity of the fused-benzene ring is illustrated by the very small deviations of all the atoms from the plane [largest deviation = 0.0092?(11)?Å. The six-membered N,O-containing ring adopts a half-chair conformation. The observed N-CH(2) and CH(2)-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH(2)-O unit. In the crystal, the mol-ecules are connected into zigzag chains parallel to [001] through O-H?N hydrogen bonds formed between the oxazinic N atom and the solvent water mol-ecule. The chains are consolidated by C-H?O inter-actions.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC3435746 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature