Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue

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Title:Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue
Creators:
Pakhomova, Svetlana
Ondráček, Jan
Jursík, František
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 63, 3, pp. 356-362
Uncontrolled Keywords:Amino acids, <i>N</i>-Terminal tyrosine-like copper(II) complex, X-Ray diffraction, Chelates, Copper

Abstract

Single-crystal X-ray diffraction study established the dimeric [Cu<sub>2</sub>(ohb-(<i>S</i>)-Ala)<sub>2</sub>] structure (ohb-(<i>S</i>)-Ala = <i>N</i>-(2-hydroxybenzyl-(<i>S</i>)-alaninate). The complex crystallizes in the tetragonal space group <i>P4</i><sub>3</sub><i>2</i><sub>1</sub><i>2</i> with <i>a</i> = <i>b</i> = 8.849(1) Å, <i>c</i> = 24.913(2) Å, <i>V</i> = 1950.8(3) Å<sup>3</sup>, <i>Z</i> = 8. The Cu(II) ion has distorted square-pyramidal geometry with the equatorial positions occupied by three oxygen and one nitrogen atom. Each copper atom is weakly coordinated at the apical position by carbonyl oxygen atom of the neighbouring molecule at the distance 2.329(2) Å. The Cu-Cu separation 3.0204(7) Å and the Cu-O3-Cu angle 100.8(1)° lead to antiferromagnetic coupling (at room temperature μ<sub>eff</sub> = 1.35 μ<sub>B</sub>). The O1-Cu-O3 angle (154.9(1)°) indicates distortion of the square pyramid toward a trigonal bipyramid (t = 0.23).

Title:Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue
Creators:
Pakhomova, Svetlana
Ondráček, Jan
Jursík, František
Uncontrolled Keywords:Amino acids, <i>N</i>-Terminal tyrosine-like copper(II) complex, X-Ray diffraction, Chelates, Copper
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:63
Number:3
Page Range:pp. 356-362
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19980356UNSPECIFIED
ID Code:1302
Item Type:Article
Deposited On:06 Feb 2009 17:08
Last Modified:06 Feb 2009 16:08

Citation

Pakhomova, Svetlana; Ondráček, Jan; Jursík, František (1998) Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue. Collection of Czechoslovak Chemical Communications, 63 (3). pp. 356-362. ISSN 0010-0765

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