Compressed hydrogen-bond effects in the pressure-frozen dichloroacetic acid

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Publisher: Acta Crystallographica
Journal: Section B
Year/Issue: 2007/06-00

Article (via DOI): 10.1107/S0108768107037263
Compound Class:organic
Date Recorded:2007-06-07

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Data collection parameters
Chemical formula sum C 2H 2Cl 2O 2
Chemical formula moiety C 2H 2Cl 2O 2
Crystal system Monoclinic
Space group H-M P 21/n
Space group Hall
Data collection temperature 293.0

Refinement results
R Factor (Obs) 0.0534
R Factor (All) 0.0664
Weighted R Factor (Obs) 0.088
Weighted R Factor (All) 0.0914

Available Resources

Crystal Components
Moieties

Result files
Raw CML
Complete CML
CIF ( cached / original)

Validation
CheckCIF

Images
Ellipsoid

Show no. of unit cells along axis:

a:


b:


c:


Enter Jmol script:

InChI:

InChI=1/C2H2Cl2O2/c3- 1(4)2(5)6/h1H,(H,5,6)

SMILES:

[H]OC(=O) C([H]) (Cl) Cl