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4-Chloro-3-ethyl-phenol.


ABSTRACT: The title compound, C8H9ClO, packs with two independent mol-ecules in the asymmetric unit, without significant differences in corresponding bond lengths and angles, with the ethyl group in each oriented nearly perpendicular to the aromatic ring having ring-to-side chain torsion angles of 81.14?(18) and -81.06?(19)°. In the crystal, mol-ecules form an O-H?O hydrogen-bonded chain extending along the b-axis direction, through the phenol groups in which the H atoms are disordered. These chains pack together in the solid state, giving a sheet lying parallel to (001), via an offset face-to-face ?-stacking inter-action characterized by a centroid-centroid distance of 3.580?(1)?Å, together with a short inter-molecular Cl?Cl contact [3.412?(1)?Å].

SUBMITTER: Majer SH 

PROVIDER: S-EPMC4120563 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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4-Chloro-3-ethyl-phenol.

Majer Sean H SH   Tanski Joseph M JM  

Acta crystallographica. Section E, Structure reports online 20140621 Pt 7


The title compound, C8H9ClO, packs with two independent mol-ecules in the asymmetric unit, without significant differences in corresponding bond lengths and angles, with the ethyl group in each oriented nearly perpendicular to the aromatic ring having ring-to-side chain torsion angles of 81.14 (18) and -81.06 (19)°. In the crystal, mol-ecules form an O-H⋯O hydrogen-bonded chain extending along the b-axis direction, through the phenol groups in which the H atoms are disordered. These chains pack  ...[more]

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