5-Diethyl-amino-2-[(E)-(4-methyl-3-nitro-phenyl)-imino-meth-yl]phenol: a redetermination.

ABSTRACT: The title compound, C(18)H(21)N(3)O(3), is a potential bidentate Schiff base ligand. The whole mol-ecule is disordered with a refined site-occupancy ratio of 0.567?(4):0.433?(4) and not just one ethyl group as reported previously [Sarojini et al. (2007 ?). Acta Cryst. E63, o4782-o4782]. Using the whole mol-ecule disorder, R values are much smaller than those published. An intra-molecular O-H?N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The dihedral angle between the mean plane of the two benzene rings (major component) is 9.0?(5)°. The crystal structure shows short C?C [3.189?(15)-3.298?(12)?Å] and C?O [2.983?(5)-3.149?(13)?Å] contacts. Inter-molecular C-H?O inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(18) motifs. In the crystal structure, these dimers are linked together by inter-molecular C-H?O inter-actions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.458?(8)-3.691?(6)?Å].

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2968344 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature