The Crystal and Molecular Structure of sym-fac-(1,4,7-Triazaheptane)-(S)-aspartatocobalt(III) Diperchlorate Dihydrate

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Title:The Crystal and Molecular Structure of sym-fac-(1,4,7-Triazaheptane)-(S)-aspartatocobalt(III) Diperchlorate Dihydrate
Creators:
Ondráček, Jan
Ondráčková, Jana
Maixner, Jaroslav
Jursík, František
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 59, 5, pp. 1052-1058

Abstract

<p>The crystal and molecular structure of s-<i>fac</i>-[Co((<i>S</i>)-Asp)(dien)]ClO<sub>4</sub> . HClO<sub>4</sub> .2 H<sub>2</sub>O (dien = 1,4,7-triazaheptane) was solved by the heavy atom method. The position parameters of the non-hydrogen atoms and their anisotropic temperature parameters were refined based on 1&nbsp;726 observed reflections with a final value of <i>R</i> = 0.073. The substance crystallizes in the orthorhombic system in the space group <i>P2</i><sub>1</sub><i>2</i><sub>1</sub><i>2</i><sub>1</sub>, <i>Z</i> = 4, <i>a</i> = 8.506(1), <i>b</i> = 17.171(2), <i>c</i> = 13.277(1) Å. The structure involves hydrogen bonds between the O2, O4 and HN2 atoms of aspartic acid and the two molecules of water. The five-membered dien chelate rings take the asymmetric envelope conformations. The five-membered ring of (<i>S</i>)-aspartic acid possesses the symmetric envelope conformation whereas the six-membered ring exhibits the skew boat conformation.

Title:The Crystal and Molecular Structure of sym-fac-(1,4,7-Triazaheptane)-(S)-aspartatocobalt(III) Diperchlorate Dihydrate
Creators:
Ondráček, Jan
Ondráčková, Jana
Maixner, Jaroslav
Jursík, František
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:59
Number:5
Page Range:pp. 1052-1058
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19941052UNSPECIFIED
ID Code:522
Item Type:Article
Deposited On:06 Feb 2009 17:01
Last Modified:06 Feb 2009 16:01

Citation

Ondráček, Jan; Ondráčková, Jana; Maixner, Jaroslav; Jursík, František (1994) The Crystal and Molecular Structure of sym-fac-(1,4,7-Triazaheptane)-(S)-aspartatocobalt(III) Diperchlorate Dihydrate. Collection of Czechoslovak Chemical Communications, 59 (5). pp. 1052-1058. ISSN 0010-0765

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