Structure Analysis of Catechol-Like Molecular Fragments

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Title:Structure Analysis of Catechol-Like Molecular Fragments
Creators:
Huml, Karel
Soldán, Pavel
Zimmermann, Karel
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 58, 6, pp. 1242-1254

Abstract

A system of rigid benzene ring and two variable torsion angles ϕ(C-C-OH) in catechol-like molecular fragments was studied. A scattergam of the two torsion angles taken from the Cambridge Structural Databank is in a good agreement with the potential energy map calculated with the AMBER compatible energy minimizer ORAL. Symmetry operations and point symmetry domains used during the analysis are described in detail. Results are interpreted in accord with the catchment region theory and the structure-correlation principle.

Title:Structure Analysis of Catechol-Like Molecular Fragments
Creators:
Huml, Karel
Soldán, Pavel
Zimmermann, Karel
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:58
Number:6
Page Range:pp. 1242-1254
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19931242UNSPECIFIED
ID Code:241
Item Type:Article
Deposited On:06 Feb 2009 16:59
Last Modified:06 Feb 2009 15:59

Citation

Huml, Karel; Soldán, Pavel; Zimmermann, Karel (1993) Structure Analysis of Catechol-Like Molecular Fragments. Collection of Czechoslovak Chemical Communications, 58 (6). pp. 1242-1254. ISSN 0010-0765

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