Complexes of Nickel(II) with creatinine: X-ray crystal structures and spectroscopic studies
TL;DR: In this paper, two creatinine complexes were obtained in the form of suitable crystals for X-ray crystallography, one in triclinic space group P 1 (#2) with a = 9.940(2) A, b = 15.732(6), A, c = 9,339(3) A, α = 96.30 (3)°, γ = 75.83(3)-°, V = 1369(2), Z = 1, R = 0.039.
About: This article is published in Journal of Inorganic Biochemistry.The article was published on 1995-11-01. It has received 16 citations till now. The article focuses on the topics: Crystal structure.
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TL;DR: The nature of the peptide seems to be a very important factor for the reactivity of copper(II) peptide complexes with bioligands as mentioned in this paper, and only four new ternary Cu(II)-complexes have been obtained.
40 citations
TL;DR: In this paper, the crystal structure of the little compound has been solved by single-crystal X-ray diffractometry, where the CuII ion is located on a two-fold crystallographic axis in a quasi-tetrahedral coordination.
23 citations
01 Apr 2010
TL;DR: In this article, the optimized structure of creatinine was obtained using DFT/B3LYP method with 6-311+G(d,p) and LANL2DZ basis sets.
Abstract: Article history: Creatinine (2-amino-1-methyl-5H-imidazol-4-one) is an amino acid that occurs in vertebrate tissues and in urine. The mid and far infrared spectra of creatinine were recorded in the solid phase. The optimized structure of creatinine was obtained using DFT/B3LYP method with 6-311+G(d,p) and LANL2DZ basis sets. The harmonic frequencies of creatinine were calculated using DFT/B3LYP/6-311+G(d,p) method. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The creatinine-metal {cadmium (Cd(II)), zinc (Zn(II)) and mercury (Hg(II))} halogen (chloride (Cl - ) and bromide (Br - )) complexes were synthesized. DFT calculations, DFT-B3LYP/LANL2DZ were performed for the determination of geometrical structure and vibrational assignment for metal- complexes.
19 citations
Cites background from "Complexes of Nickel(II) with creati..."
...In metal complexes, creatinine typically coordinates to the metal via the ring nitrogen [1113,17,28,29]....
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...The X-ray crystal structure and the coordination chemistry with transition metal ions of creatinine have been widely studied [12-29]....
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TL;DR: In this paper, X-ray crystallography established two unprecedented coordination modes for creatine in complexes 6 and 7, where the creatinine is bound to iridium in a monodentate fashion through the exocyclic nitrogen, whereas the iridium serves as a bidentate η 2 -(N,O)-ligand in 7.
18 citations
TL;DR: The lilac complex [Ni(en)2(isocyt)2][B(C6H5)4]2 (en=ethylenediamine; isocyt=isoctosine) has been prepared by reaction of [Ni[n 2Cl]2Cl2 and the pyrimidine base in ethanol-water medium as mentioned in this paper, which crystallizes in the triclinic space group P-1 with a=9.488(6), b=11.020(5), c=13.986(6) A,
9 citations
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01 Jan 1978TL;DR: In this article, the normal modes of vibration are illustrated and corresponding vibrational frequencies are listed for each type, including diatomic, triatomic, fouratomic, five-atomic, six-atomic and seven-atomic types.
Abstract: Inorganic molecules (ions) and ligands are classified into diatomic, triatomic, four-atomic, five-atomic, six-atomic, and seven-atomic types, and their normal modes of vibration are illustrated and the corresponding vibrational frequencies are listed for each type. Molecules of other types are grouped into compounds of boron, carbon, silicon, nitrogen, phosphorus, and sulfur, and the structures and infrared (IR)/Raman spectra of select examples are shown for each group. Group frequency charts including band assignments are shown for phosphorus and sulfur compounds. Other group frequency charts include hydrogen stretching frequencies, halogen stretching frequencies, oxygen stretching and bending frequencies, inorganic ions, and metal complexes containing simple coordinating ligands.
Keywords:
inorganic compounds;
coordination compounds;
diatomic molecules (ligands);
triatomic molecules (ligands);
four-atomic molecules (ligands);
five-atomic molecules (ligands);
six-atomic molecules (ligands);
seven-atomic molecules (ligands);
boron compounds;
carbon compounds;
silicon compounds;
nitrogen compounds;
phosphorus compounds;
sulfur compounds;
group frequency charts
15,951 citations
1,459 citations
126 citations
TL;DR: In this paper, the crystal and molecular structure of creatinininium tetrachlorocuprate (II) was described and the structure was solved by X-ray diffraction studies and was refined by least-squares methods to R = 0.041 for 1344 reflections.
40 citations
36 citations