Enol-enamine tautomerism in crystals of 1,3-bis(pyridin-2-yl) propan-2-one: A combined crystallographic and quantum-chemical investigation of the effect of packing on tautomerization processes

Journal of the American Chemical Society

Volumn 126, Issue 41, 2004, Pages 13519-13525

  Godsi, Oded ^a   Turner, Boaz ^a   Suwinska, Kinga ^b   Peskin, Uri ^a   Eichen, Yoav ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^b INSTITUTE OF PHYSICAL CHEMISTRY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE MATERIALS; CRYSTALLOGRAPHY; DIMERIZATION; DIMERS; ELECTRON ENERGY LEVELS; FREE ENERGY; MATHEMATICAL MODELS; QUANTUM THEORY; SINGLE CRYSTALS; THERMODYNAMICS; X RAY DIFFRACTION ANALYSIS;

SINGLE-CRYSTAL X-RAY DIFFRACTION; TAUTOMERISM; TAUTOMERS;

AMINES;

1,3 BIS(PYRIDIN 2 YL)PROPAN 2 ONE; ENAMINE; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL; DIMERIZATION; ENERGY; ISOMERISM; QUANTUM CHEMISTRY; TAUTOMERIC SHIFT; TEMPERATURE DEPENDENCE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 6344279912     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja046311h     Document Type: Article

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