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4-Chloro-3-ethyl-phenol.

Majer SH, Tanski JM - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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 π-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].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.

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 π-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].

No MeSH data available.


Related in: MedlinePlus

A view of the two independent molecules of the title compound with the atom numbering scheme. Displacement ellipsoids are shown at the 50% probability level. The disordered phenolic hydrogen atoms are represented with dashed open bonds.
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Fap1: A view of the two independent molecules of the title compound with the atom numbering scheme. Displacement ellipsoids are shown at the 50% probability level. The disordered phenolic hydrogen atoms are represented with dashed open bonds.


4-Chloro-3-ethyl-phenol.

Majer SH, Tanski JM - Acta Crystallogr Sect E Struct Rep Online (2014)

A view of the two independent molecules of the title compound with the atom numbering scheme. Displacement ellipsoids are shown at the 50% probability level. The disordered phenolic hydrogen atoms are represented with dashed open bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120563&req=5

Fap1: A view of the two independent molecules of the title compound with the atom numbering scheme. Displacement ellipsoids are shown at the 50% probability level. The disordered phenolic hydrogen atoms are represented with dashed open bonds.
Bottom Line: 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 π-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].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.

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 π-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].

No MeSH data available.


Related in: MedlinePlus