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2-(Acet-oxy-meth-yl)benzoic acid.

Gainsford GJ, Schwörer R - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif.Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H⋯O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H⋯π inter-action providing inter-planar binding.The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

View Article: PubMed Central - HTML - PubMed

Affiliation: Carbohydrate Chemistry Group, Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand.

ABSTRACT
The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H⋯O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H⋯π inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

No MeSH data available.


Related in: MedlinePlus

Cell contents view down the c axis. Contact atoms are shown as balls; intermolecular bonding contacts are shown as blue dotted lines. Symmetry: (i) 1 - x,2 - y, 1 - z (ii) 1 - x, 1 - y, 1 - z (iii) 2 - x, 1 - y, 1 - z.
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Fap2: Cell contents view down the c axis. Contact atoms are shown as balls; intermolecular bonding contacts are shown as blue dotted lines. Symmetry: (i) 1 - x,2 - y, 1 - z (ii) 1 - x, 1 - y, 1 - z (iii) 2 - x, 1 - y, 1 - z.


2-(Acet-oxy-meth-yl)benzoic acid.

Gainsford GJ, Schwörer R - Acta Crystallogr Sect E Struct Rep Online (2013)

Cell contents view down the c axis. Contact atoms are shown as balls; intermolecular bonding contacts are shown as blue dotted lines. Symmetry: (i) 1 - x,2 - y, 1 - z (ii) 1 - x, 1 - y, 1 - z (iii) 2 - x, 1 - y, 1 - z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569790&req=5

Fap2: Cell contents view down the c axis. Contact atoms are shown as balls; intermolecular bonding contacts are shown as blue dotted lines. Symmetry: (i) 1 - x,2 - y, 1 - z (ii) 1 - x, 1 - y, 1 - z (iii) 2 - x, 1 - y, 1 - z.
Bottom Line: The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif.Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H⋯O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H⋯π inter-action providing inter-planar binding.The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

View Article: PubMed Central - HTML - PubMed

Affiliation: Carbohydrate Chemistry Group, Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand.

ABSTRACT
The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H⋯O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H⋯π inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

No MeSH data available.


Related in: MedlinePlus