Structural characterization of analgesic isothiazolopyridines of Mannich base type; X-ray analysis of 2-[(4-phenylpiperazin-1-yl)ethyl]- and 2-[(4-methylpiperazin-1-yl)methyl]-4,6-dimethylisothiazolo[5,4-b]pyridin-3(2H)-ones

Journal of Molecular Structure

Volumn 888, Issue 1-3, 2008, Pages 160-167

  Karczmarzyk, Zbigniew ^a   Malinka, Wiesław ^b  

^a SIEDLCE UNIVERSITY OF NATURAL SCIENCES AND HUMANITIES   (Poland)

^b WROCLAW MEDICAL UNIVERSITY   (Poland)

Author keywords

Ab initio calculations; Analgesic activity; Conformational analysis; Isothiazolo 5,4 b pyridines; X ray structure

Indexed keywords

BINDING SITES; CHARGE DISTRIBUTION; CORRELATION METHODS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; HYDROGEN; HYDROGEN BONDS; KETONES; MOLECULES; NONMETALS; PHOTORESISTS; POWDERS; PYRIDINE;

AB INITIO CALCULATIONS; AB-INITIO METHODS; ANALGESIC ACTIVITY; COMPUTATIONAL INVESTIGATIONS; CONFORMATIONAL ANALYSIS; ELECTRONIC PARAMETERS; INTERMOLECULAR HYDROGEN BONDS; ISOTHIAZOLO[5,4-B]PYRIDINES; MANNICH BASE; MOLECULAR PACKINGS; PYRIDINE RINGS; RHF/6-31G; SEMI-EMPIRICAL; SIDE CHAINS; STRUCTURAL CHARACTERIZATIONS; THEORETICAL CALCULATIONS; X-RAY ANALYSIS; X-RAY STRUCTURE;

CONFORMATIONS;

EID: 52049118318     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.11.048     Document Type: Article

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