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2,2'-Bipyridyl 1,1'-Dioxide

Catalog Number
ACM7275436
Product Name
2,2'-Bipyridyl 1,1'-Dioxide
Structure
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CAS
7275-43-6
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Synonyms
2,2'-Dipyridyl N,N'-dioxide
IUPAC Name
2-(1-oxidopyridin-2-ylidene)pyridin-1-ium 1-oxide;
Molecular Weight
188.18
Molecular Formula
C10H8N2O2
Canonical SMILES
C1=CC(=C2C=CC=C[N+]2=O)N(C=C1)[O-];
InChI
InChI=1S/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H;
InChI Key
FERMVCULDZOVOJ-UHFFFAOYSA-N;
Purity
98%+
Appearance
Powder or crystal
Complexity
376
Covalently-Bonded Unit Count
1
Exact Mass
188.059g/mol
H-Bond Acceptor
3
Heavy Atom Count
14
Monoisotopic Mass
188.059g/mol
NSC Number
351883
Topological Polar Surface Area
46.4A^2
Undefined Bond Stereocenter Count
1
Application
The purpose of 2,2'-Bipyridyl 1,1'-Dioxide, an off-white to cream powder, is to serve as a versatile ligand with notable complexation abilities, particularly evident when compared with 2,2'-bipyridine. It forms various complexes with zinc and novel lanthanide elements such as Eu3+, Tb3+, Gd3+, Sm3+, and Dy3+, which have been synthesized and thoroughly characterized using elemental analysis and infrared spectroscopy. Additionally, this compound's capability to engage in halogen bonding is demonstrated in its complex with 1,4-diiodotetrafluorobenzene, with the electron density distribution investigated at a low temperature of 90K using X-ray diffraction techniques.
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