Crystal and molecular structure of bis(creatinite)silver(I) perchlorate dihydrate
TL;DR: In this article, the crystal and molecular structure of bis(creatinine)silver(II) perchlorate dihydrate, [Ag(C4H7N3O)2] ClO4·2H2O, was determined from single crystal three-dimensional X-ray data collected by counter methods.
About: This article is published in Inorganica Chimica Acta.The article was published on 1981-01-01. It has received 23 citations till now. The article focuses on the topics: Perchlorate & Monoclinic crystal system.
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TL;DR: In this article, the stability constants of binary complexes formed by creatinine with Zn(II) and Cd(II), and of the mixed-ligand complexes Zn((II)-creatinine1-asparagine and Zn-(II) creatinines-l-glutamic acid) were determined by the Calvin-Bjerrum and IrvingRossotti methods.
Abstract: Creatinine is a physiological component of blood, brain and muscles and an important bioligand, which is the last product of the nitrogen metabolism in the vertebrates. In this study , the stability constants of binary complexes formed by creatinine with Zn(II) and Cd(II), and of the mixed-ligand complexes Zn(II)-creatinine1-asparagine and Zn(II) creatinine-l-glutamic acid were determined by the Calvin-Bjerrum and IrvingRossotti methods. The conditional formation constants and the formation pH ranges of complexes were determined. Relative abundance was plotted using conditional formation constants of the complexes and the steps of the complexes are shown in graphs. The composition of metal-creatinine complexes was determined as metal/ligand = 1: 1.
6 citations
TL;DR: In this paper, the authors used titration potentiometry and spectrophotometry to determine stability constants for mixed complexes of Cu(II) with creatinine and EDTA.
Abstract: Titration potentiometry and spectrophotometry have both been used to determine stability constants for mixed complexes of Cu(II) with creatinine and EDTA. Stability constants of the ternary system were evaluated by a method suggested by the Irving-Rossotti procedure. Conditional constants were established as a function of pH; the maximum values of the conditional formation constants were found to be in agreement with the mixed-ligand complex formation constants in a given pH region. The mole fractions of mixed complexes were calculated using the formation constants. The stability constants of mixed-ligand complexes at 25°C are: log K| = 5.29, log K2 = 4.97, with ionic strength being kept constant at I = 0.1 with NaC104. Also, Cu(II)-I-glutamic acid-creatinine and Cu(II)-EDTA-creatinine complex formation, as examined by the spectrophotometric method, gave results that were in agreement with those of the Potentiometrie method. K e y w o r d s : creatinine, EDTA, 1-glutamic acid, copper(II) complexes, mixed complex, stability constants.
5 citations
TL;DR: In this article, the stability constants of binary complexes formed by creatinine with Cu(II, Co(II), Mn(II) and Cr(III) were determined by the Calvin-Bjerrum and Irving-Rossotti methods.
Abstract: Creatinine is a physiological component of blood, brain and muscles and an important bioligand, which is the last product of the nitrogen metabolism in the vertebrates. In this study , the stability constants of binary complexes formed by creatinine with Cu(II), Co(II), Mn(II), Cr(III), and of the mixedligand complex Cu(II)-creatinine-l-asparagine were determined by the Calvin-Bjerrum and Irving-Rossotti methods. The protonation constant and dissociation constant of creatinine was found to be 4. 90 at 25 C and for 1= 0.1. The conditional formation constants and the formation pH ranges of complexes were determined. Relative abundance was plotted using conditional formation constants of the complexes and the steps of the complexes are shown in graphs. The composition of metal-creatinine complexes was determined as metal/ligand = 1 :1 .
4 citations
TL;DR: In this paper, five coordination modes have been established by X-ray crystallography: bidentate bridging through N(l)(r ing) and deprotonated exocyclic NH site 191, Bidentate binding via N ( l ) (ring) and the exocycyclic 0 ( C = 0 ) (11); monodentate binding through the N (l ) ( ring) site /11/; monodente binding through N (c = 0 ǫ ) /12/; and monodenta binding through
Abstract: Creatinine, being a natural metabolite of creatin, is a very important bioligand. Its importance in clinical chemistry is well recognized; its level in serum and urine is indicative of the renal function / l , 2/. The complexation ability of creatinine, due to the presence of several donor groups in its main tautomeric form, is well recognised and studies on the metal ion interactions with creatinine may be helpful in deciphering creatinine metabolic pathways /3, 4, 5, 6, 7/. The study of binary and ternary complexes of this ligand should be of interest due to the fact that creatinine metabolism might be connected with its complcxation to different metal ions 191. Five co-ordination modes have been established by X-ray crystallography:bidentate bridging through N(l)(r ing) and deprotonated exocyclic NH site 191, bidentate binding via N ( l ) (ring) and the exocyclic 0 ( C = 0 ) (11); monodentate binding through the N ( l ) (ring) site /11/; monodentate binding through the exocyclic 0 ( C = 0 ) /12/; and monodentate fashion through the deprotonated exocyclic NH group /10/.
2 citations
TL;DR: In this article, the crystal and molecular structure of bis(creatinine)silver(I) perchlorate dihydrate, [Ag(C4H7NJ0)J C104*2H,0, was determined from single crystal three-dimensional X-ray data collected by counter methods.
Abstract: The crystal and molecular structure of bis(creatinine)silver(I) perchlorate dihydrate, [Ag(C4H7NJ0)J C104*2H,0, was determined from single crystal three-dimensional X-ray data collected by counter methods. The compound belongs to the monoclinic system, the space group being P2/c. The unit cell parameters are a = 11.405(2), b = 6.0.52(2), c = 12.325(2) A, p = 9.5.95(l)” and Z = 2. The structure was solved by direct methods and was refined by least-squares methods to a conventional R factor of 0.035 for 1509 observed reflections. The [Ag(C4H7N3 0)2/’ molecule is centrosymmetric with Ag being linearly coordinated through the cyclic imino nitrogen atoms of two creatinine ligands at a distance (Ag-N) of 2.100(3) .k The H atom of the cyclic imino group in free creatinine is found to be transferred to the exocyclic imino group in the complex. The creatinine molecules are planar. There is an extensive intermolecular hydrogen bonding system in the complex involving the water molecules, the perchlorate groups and the carbonyl and the exocyclic NH, groups of the ligands.
2 citations
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TL;DR: In this paper, the x-ray form factors for a bonded hydrogen in the hydrogen molecule have been calculated for a spherical approximation to the bonded atom, and the corresponding complex scattering factors have also been calculated.
Abstract: The x‐ray form factors for a bonded hydrogen in the hydrogen molecule have been calculated for a spherical approximation to the bonded atom. These factors may be better suited for the least‐squares refinement of x‐ray diffraction data from organic molecular crystals than those for the isolated hydrogen atom. It has been shown that within the spherical approximation for the bonded hydrogens in H2, a least‐squares refinement of the atomic positions will result in a bond length (Re value) short of neutron diffraction or spectroscopic values. The spherical atoms are optimally positioned 0.07 A off each proton into the bond. A nonspherical density for the bonded hydrogen atom in the hydrogen molecule has also been defined and the corresponding complex scattering factors have been calculated. The electronic density for the hydrogen molecule in these calculations was based on a modified form of the Kolos—Roothaan wavefunction for H2. Scattering calculations were made tractable by expansion of a plane wave in spheroidal wavefunctions.
2,401 citations
44 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
TL;DR: Tris(thiourea)silver(I) perchlorate, Ag[SC(NH2)2]3ClO4, was determined from three-dimensional diffractometer data and refined by least-squares methods with anisotropic thermal parameters to a conventional R factor of 0.048 for 2202 observed reflections as mentioned in this paper.
32 citations