Structure of Adeninium Chloroacetate-Chloroacetic Acid Solvate C5H6N5+ ClCH2COO- . ClCH2COOH

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Title:Structure of Adeninium Chloroacetate-Chloroacetic Acid Solvate C5H6N5+ ClCH2COO- . ClCH2COOH
Creators:
Maixner, Jaroslav
Zachová, Jana
Huml, Karel
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 58, 4, pp. 861-868

Abstract

The structure adeninium chloracetate-chloroacetic acid solvate was solved by direct methods and refined anisotropically to <i>R</i> = 0.085 for 1978 unique observed reflections (<i>I</i> 33 σ(<i>I</i>). The title compound is orthorhombic, <i>a</i> = 24.138(4), <i>b</i> = 15.525(2), <i>c</i> = 7.136(1) Å. <i>Pccn</i>, <i>Z</i> = 8. The adenine molecule, which is protonated at N(1), is almost planar with a dihedral angle of 0.3(2)° between the imidazole and the pyrimidine rings. The chloroacetate is partially distorted. A dimensional net of H-bonds between adenine, chloroacetic acid and chloroacetate is formed.

Title:Structure of Adeninium Chloroacetate-Chloroacetic Acid Solvate C5H6N5+ ClCH2COO- . ClCH2COOH
Creators:
Maixner, Jaroslav
Zachová, Jana
Huml, 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:4
Page Range:pp. 861-868
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19930861UNSPECIFIED
ID Code:203
Item Type:Article
Deposited On:06 Feb 2009 16:59
Last Modified:06 Feb 2009 15:59

Citation

Maixner, Jaroslav; Zachová, Jana; Huml, Karel (1993) Structure of Adeninium Chloroacetate-Chloroacetic Acid Solvate C5H6N5+ ClCH2COO- . ClCH2COOH. Collection of Czechoslovak Chemical Communications, 58 (4). pp. 861-868. ISSN 0010-0765

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