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  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 122 (1989), S. 1445-1447 
    ISSN: 0009-2940
    Keywords: Amino acid complexes ; Hydrogen DL-aspartate complexes ; Magnesium hydrogen DL-aspartate tetrahydrate ; Hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bindung von Metall-Ionen durch Aminosäuren. - Die Kristallstruktur des racemischen Magnesium-bis(hydrogenaspartat)-Tetrahydrats Mg(L-AspH)(D-AspH) · 4H2OMagnesium-L-hydrogenaspartat-D-hydrogenaspartat- Tetrahydrat Mg(L-AspH)(D-AspH) · 4 H2O fällt beim Abkühlen in kristalliner Form aus einer Reaktionsmischung aus, die in der Siedehitze aus äquivalenten Mengen von racemischer Asparginsäure und Magnesiumhydroxid in Wasser bereitet wurde. Das gleiche Produkt entsteht in langsamer Racemisierung in analogen Experimenten, bei denen reine L-Asparaginsäure eingesetzt wurde. - Der Komplex kristallisiert in der monoklinen Raumgruppe P21/c mit zentrosymmetrischen Komplexmolekülen, in denen das Magnesium oktaedrisch von vier äquatorial gebundenen Wassermolekülen und zwei axial koordinierten β-Carboxylat-Sauerstoffatomen umgeben ist. Die NH3+- und α-CO2--Funktionen bilden ein System von Wasserstoffbrückenbindungen, das die individuellen Komplexmoleküle zu einem dreidimensional verknüpften Netzwerk zusammenfügt.
    Notes: Magnesium hydrogen L-aspartate hydrogen D-aspartate tetrahydrate Mg(D-AspH)(L-AspH) · 4 H2O crystallizes on cooling from the reaction mixture obtained from equivalent quantities of racemic aspartic acid and magnesium hydroxide in water under reflux conditions. The same product is also formed by slow racemization in analogous experiments carried out with pure L-aspartic acid. - The compound crystallizes in the monoclinic space group P21/c with centrosymmetric complex units, in which magnesium is in an octahedral environment of four water oxygen atoms in the equatorial plane and two β-carboxylate oxygen atoms in axial positions. The NH3+ and α-CO2- functions form a hydrogen-bonded system integrating the individual molecules into a three-dimensional network.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 122 (1989), S. 1439-1444 
    ISSN: 0009-2940
    Keywords: L-Asparatate complexes ; Amino acid complexes ; Calcium L-aspartate dihydrate ; Calcium L-aspartate tetrahydrate ; Hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bindung von Metall-Ionen durch Aminosäuren. - Darstellung und Kristallstrukturen zweier Calcium-L-aspartat-HydrateAus L-Asparaginsäure L-AspH2 und CaCO3 wurde in einer dreistufigen Synthese über Calcium-bis(L-hydrogenaspartat) Ca(L-AspH)2 und Calcium-(L-hydrogenaspartat)-chlorid-Dihydrat Ca(L-AspH)Cl · 2H2O ein kristallines Calcium-L-aspartat-Dihydrat Ca(L-Asp) · 2H2O (2) erhalten. In den orthorhombischen Kristallen, Raumgruppe P212121, liegen Doppelstränge von Calciumatomen vor, die über die Liganden L-Asp2- verknüpft sind. Jedes Dianion L-Asp2- fungiert als N,Oα,Oβ-Tripod für ein Calcium-Ion, welches seinerseits an drei weitere Sauerstoffatome von β-Carboxylatgruppen benachbarter Einheiten koordiniert ist. Zusammen mit zwei Wassermolekülen ergibt sich für die Metallzentren die Koordinationszahl acht. Die β-Carboxylatgruppen wirken dabei in den Nachbarsträngen nicht nur chelatisierend, sondern auch metallverbrückend. - Aus L-AspH2 und Ca(OH)2 konnte ein kristallines Tetrahydrat (monoklin, Raumgruppe C2) Ca(L-Asp) · 4H2O (1) gewonnen werden. Die Struktur enthält zwei Moleküle in der asymmetrischen Einheit. Jedes der beiden Calciumatome ist hier in vergleichbarer Weise siebenfach koordiniert durch einen zweizähnig (N,Oα) wirkenden Liganden Asp2-, vier Wassermoleküle und ein Sauerstoffatom der β-Carboxylatgruppe einer benachbarten Einheit. Durch diese zusätzliche Komplexbildung werden die Monomeren zu einem eindimensionalen Koordinationspolymeren verknüpft. Die Ketten sind - ebenso wie die Doppelstränge des Dihydrats - über Wasserstoffbrücken weiter vernetzt.
    Notes: Crystalline calcium(II) L-aspartate dihydrate, Ca(LAsp) · 2H2O (2), has been obtained in a three-step procedure from CaCO3 and L-aspartic acid L-AspH2 via calcium bis(L-hydrogenaspartate) Ca(L-AspH)2 and calcium hydrogen L-aspartate chloride dihydrate Ca(L-AspH)Cl · 2H2O. The crystals of 2 are orthorhombic, space group P212121. The structure is a coordination polymer with the metal atoms arranged in double chains interconnected by aspartate dianions. Each Asp2- ligand is coordinated to the metal ion as a N,Oα,Oβ tripod. In addition, two water molecules and three β-carboxylate oxygen atoms from neighbouring units are also coordinated to each metal atom, giving a coordination number of eight for each calcium. The β-carboxylate oxygen atoms form also a bridge between metals of a parallel chain of metal atoms. - A crystalline tetrahydrate (monoclinic, space group C2) Ca(L-Asp) · 4H2O (1) has been prepared from L-AspH2 and Ca(OH)2. The structure contains two molecules in the asymmetric unit. Each calcium atom is seven-coordinate and surrounded by an N,Oα-chelating L-Asp2- ligand, four water molecules, and one oxygen atom of the β-carboxylate group of a neighbouring molecule. Due to this interaction, the monomeric units are linked to give a one-dimensional coordination polymer chain. - In both structures the double stands and chains, respectively, are crosslinked by a network of hydrogen bonds.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 123 (1990), S. 1001-1004 
    ISSN: 0009-2940
    Keywords: Amino acid complexes ; L-Glutamate complexes ; Hydrogen L-glutamate complexes ; Potassium hydrogen L-glutamate ; Hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The title compound is obtained by neutralization of aqueous solutions of L-glutamic acid with potassium hydroxide, and crystallization from aqueous methanol. The compound shows a pH of 7 in water at ambient temperature and an optical rotation [α]20D of -4.30 (c = 3.0). In the crystal (orthorhombic, space group P212121) the potassium ion is in a distorted trigonal-prismatic environment of six oxygen atoms of four different amino acids and of the water molecule. No nitrogen coordination is observed. Through the bridging function of some of the α-carboxylate oxygen atoms (O1, O2) and through complexation of the metal through the γ-carboxylate groups (O3), a layer-coordination polymer, with strings of potassium ions running parallel, is formed. The layers are cross-linked by hydrogen bonds involving the ammonium and γ-carboxylate functions as well as the water molecule.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 0009-2940
    Keywords: L-α-Aspartyl-L-phenylalanine, cyclisation of ; Dipeptides, cyclic ; Metal complexation by cyclic dipeptides ; Hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ester cleavage of aspartame (L-α-aspartyl-L-phenylalanine methyl ester, 1) by equimolar quantities of NaOH is accompanied by intramolecular cyclisation to sodium 3-benzyl-6-(carboxylatomethyl)-2,5-dioxopiperazine (2). The solid-state structure of the crystalline tetrahydrate has been determined by single-crystal X-ray diffraction analysis. The cations are arranged in strings, and each sodium atom is in a distorted octahedral environment of six oxygen atoms, including a β-carboxylato (O1) and an oxo function (O4) of two different dioxopiperazines and four water molecules. No nitrogen coordination is observed. Through the ligand bridging (O1, O4) of the metals and a set of hydrogen bonds involving the amide and carboxylate groups and all water molecules a three-dimensional network is established.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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