4,4'-Bipyridine‐2,4-dihydroxybenzoic acid (1/1)

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2006/07-00

Article (via DOI): 10.1107/S160053680602201X
Compound Class:organic
Date Recorded:2006-05-31

Contact Author: Wang, Zi-liang
e-mail: zlwang@henu.edu.cn

Data collection parameters

Chemical formula sumC17H14N2O4
Chemical formula moiety(C10H8N2)(C7H6O4)
Crystal systemMonoclinic
Space group H-MP 21/c
Space group Hall-P 2ybc
Data collection temperature292.0

Refinement results

R Factor (Obs)0.0555
R Factor (All)0.0765
Weighted R Factor (Obs)0.142
Weighted R Factor (All)0.1554

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:


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InChI:

InChI=1/C10H8N2.C7H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;1-3,8-9H,(H,10,11)

SMILES:

[H]OC(=O)C=1C([H])=C([H])C(O[H])=C([H])C=1(O[H]).[H]C1=NC([H])=C([H])C(=C1([H]))C=2C([H])=C([H])N=C([H])C=2([H])