(Z)-N-(1-Eth-oxy-ethyl-idene)-2,6-bis-(propan-2-yl)anilinium chloride hemihydrate.

ABSTRACT: In the title compound, C(16)H(26)NO(+)·Cl(-)·0.5H(2)O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water mol-ecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl(-) ions and from the latter to two protonated imine groups. The geometries of the two independent cations are essentially the same. The planar N=C(O)CH(3) groups in each (r.m.s. deviations = 0.0011 and 0.0026?Å) form dihedral angles of 75.28?(5) and 79.10?(4)° with the benzene rings. In one cation, the methyl atoms of one of the isopropyl groups were modeled as disordered over two sets of sites, with refined occupancies of 0.589?(17) and 0.411?(17).

SUBMITTER: Mokhtabad Amrei L 

PROVIDER: S-EPMC3470225 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other