Complexation of glycylglycine by the methylmercury cation: a vibrational spectroscopy and X-ray diffraction study

1986 ◽  
Vol 64 (1) ◽  
pp. 148-157 ◽  
Author(s):  
Serge Alex ◽  
Rodrigue Savoie ◽  
Marie-Claude Corbeil ◽  
André L. Beauchamp
Keyword(s):  
Hydrogen Atom ◽  
Vibrational Spectroscopy ◽  
Amino Group ◽  
Carboxylate Group ◽  
Aqueous Mixtures ◽  
X Ray Diffraction ◽  
Compound A ◽  
X Ray ◽  
Protonated Amino Group ◽  
Solid Complexes

Two different crystalline complexes have been obtained from aqueous mixtures of glycylglycine (GlyGly) and methylmercury(II), and they were studied by vibrational spectroscopy and X-ray diffraction. In the first compound, a hydrogen atom of the protonated amino group of GlyGly is substituted by the CH3Hg+ cation, giving (CH3Hg)GlyGly: orthorhombic, Pna21, a = 7.920(6) Å, b = 13.473(5) Å, c = 8.059(3) Å, and Z = 4. Further complexation on the carboxylate group yielded the complex [(CH3Hg)2GlyGly]ClO4: monoclinic, P21/c, a = 6.407(4) Å, b = 24.439(6) Å, c = 8.461(2) Å, β = 93.82(4)°, and Z = 4. The sites of complexation and the conformations of these solid complexes are well reflected in their vibrational spectra. Raman spectra indicate that complexation in aqueous solutions is limited to substitution on the —NH3+ group of GlyGly.

scholarly journals Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-aminium chloride and its monohydrate

2017 ◽  
Vol 73 (12) ◽  
pp. 1931-1936
Author(s):  
Anatoly Mishnev ◽  
Alvis Mengots ◽  
Māris Turks
Keyword(s):  
Hydrogen Bond ◽  
Amino Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Partially Saturated ◽  
Protonated Amino Group ◽  
Saturated Ring ◽  
Hydrate Crystal ◽  
Graph Set ◽  
Graph Sets

The title compounds, C15H19N4O+·Cl−and C15H19N4O+·Cl−·H2O, obtained in attempts to synthesize metal complexes using tetrahydroindazole as a ligand, were characterized by NMR, IR and X-ray diffraction techniques. The partially saturated ring in the tetrahydroindazole core adopts a sofa conformation. An intramolecular N—H...N hydrogen bond formed by the protonated amino group and the N atom of the pyridyl substituent is found in the first structure. In the hydrochloride, the organic moieties are linked by two N—H...Cl−hydrogen bonds, forming aC(4) graph-set. In the hydrate crystal, a Cl−anion and a water molecule assemble the moieties into infinite bands showing hydrogen-bond patterns with graph setsC(6),R64(12) andR42(8). Organic moieties form π–π stacked supramolecular structures running along thebaxis in both structures.

Novel pseudopolymorph of the active metabolite of perindopril

2012 ◽  
Vol 68 (9) ◽  
pp. o341-o343 ◽  
Author(s):  
Joanna Bojarska ◽  
Waldemar Maniukiewicz ◽  
Lesław Sieroń ◽  
Andrzej Fruziński ◽  
Piotr Kopczacki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Active Metabolite ◽  
Alkyl Chain ◽  
Solvent Molecule ◽  
Carboxylate Group ◽  
X Ray Diffraction ◽  
Structural Units ◽  
X Ray ◽  
Zwitterionic Form

The dimethyl sulfoxide hemisolvate of perindoprilat [systematic name: (1S)-2-((S)-{1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate], C17H28N2O5·0.5C2H6OS, an active metabolite of perindopril, has been synthesized, structurally characterized by single-crystal X-ray diffraction and compared with its ethanol disolvate analogue [Pascardet al.(1991).J. Med. Chem.34, 663–669]. Both compounds crystallize in the orthorhombicP212121space group in the same zwitterionic form, with a protonated alanine N atom and an anionic carboxylate group at then-alkyl chain. The three structural units present in the unit cell (two zwitterions and the solvent molecule) are held together by a rich system of O—H...O, N—H...O and C—H...O hydrogen-bond contacts.

Characterization of the inclusion complex of the essential oil of Lantana camara L. and β-cyclodextrin by vibrational spectroscopy, GC–MS, and X-ray diffraction

2018 ◽  
Vol 91 (1-2) ◽  
pp. 95-104 ◽  
Author(s):  
Márcio dos S. Rocha ◽  
Sidney G. de Lima ◽  
Bartolomeu C. Viana ◽  
José Galberto Martins Costa ◽  
Francisco E. P. Santos
Keyword(s):  
Essential Oil ◽  
Inclusion Complex ◽  
Vibrational Spectroscopy ◽  
Lantana Camara ◽  
X Ray Diffraction ◽  
X Ray

Synthèse et caractérisation des oxypentafluorouranates(VI) NH4UOF5, KUOF5, RbUOF5 et CsUOF5

1978 ◽  
Vol 56 (14) ◽  
pp. 1874-1880 ◽  
Author(s):  
Philippe Joubert ◽  
Roland Bougon ◽  
Bernard Gaudreau
Keyword(s):  
Infrared Spectroscopy ◽  
Solid State ◽  
Alkali Metal ◽  
Vibrational Spectroscopy ◽  
Uranium Atom ◽  
The Other ◽  
Metal Fluoride ◽  
X Ray Diffraction ◽  
X Ray ◽  
Raman And Infrared Spectroscopy

The oxypentafluorouranates(VI) MUOF5, where M = NH4, K, Rb, Cs, have been synthetized from reaction of UOF4 with the ammonium or corresponding alkali metal fluoride in liquid SO2. According to X-ray diffraction, Raman and infrared spectroscopy, and from an isomorphism with the corresponding hexafluorouranates(V) MUF6, two different environments around the uranium atom are observed. In CsUOF5 the five fluorine atoms and the oxygen around the uranium result in a pseudo-octahedral surrounding whereas for the other complexes (M = NH4, K, Rb) each uranium is surrounded by eight light atoms forming a dodecahedron. In this structure the dodecahedra are linked together by fluorine atoms to form infinite chains. The UOF5− ion has been characterized by vibrational spectroscopy in the solid state. The proposed assignment, which was made with the assumption of a C4v symmetry of the UOF5− ion, was confirmed by a force constant calculation. From these data and contrary to the values reported for comparable oxypentafluoroanions, the axial fluorine is found to be less ionic than the equatorial ones.

Synthesis and Characterization of a New Copper(II) Complex with Nadolol, an Aminoalcoholic Beta-blocker. Crystal Structure of Na[Cu(nadololate)(CO3)] · H2O

2008 ◽  
Vol 63 (5) ◽  
pp. 543-547 ◽  
Author(s):  
Inés Viera ◽  
Laura Domínguez ◽  
Javier Ellena ◽  
María H. Torre
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectroscopy ◽  
Copper Complex ◽  
Beta Blocker ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
X Ray

This work reports the synthesis and characterization of a new copper complex with nadolol, a betablocker aminoalcohol. The stoichiometry found was Na[Cu(nadololate)(CO3)] · H2O. Electronic and vibrational spectroscopy analysis was performed, and the crystal structure of Na[Cu(nadololate)-(CO3)] · H2O was determined by X-ray diffraction.

Structure of Cerebrosides. II. Small Angle X-Ray Diffraction Study of Cerasine

1979 ◽  
Vol 34 (12) ◽  
pp. 1121-1124 ◽  
Author(s):  
R. Hosemann ◽  
J. Loboda-Čačković ◽  
H. Čačković ◽  
S. Fernandez-Bermúdez ◽  
F. J. Baltá-Calleja
Keyword(s):  
Molecular Weight ◽  
Fatty Acid ◽  
Hydrogen Atom ◽  
Low Temperature ◽  
Hydroxyl Group ◽  
X Ray Diffraction ◽  
Orientational Disorder ◽  
X Ray ◽  
Long Period ◽  
Lattice Planes

Cerasine having a molecular weight of 800 differs chemically from phrenosine only in the hydroxyl group attached to the fatty acid tail which is replaced by a hydrogen atom. Nevertheless, remarkable differences between both cerebrosides are detected in the lamellae periodicities. In the range of 23 - 66 °C just one single (instead of two) structure with a similar subcell to the triclinic one component of phrenosine is detected. Between 66 and 87 °C three new components (instead of one in phrenosine) appear. Two of the structures are similar to the two phrenosine-components at low temperature and the tilt angles of their chains with respect to the basal planes can explain the stabilizing capacity of the 201 and 301 netplanes of the paraffin-like subcells respectively. These lattice planes are parallely aligned to the surfaces of the lamellae. The long period of 58 Å of component II cannot be explained in such a wav. This period persits upto 105 °C and coexists from 87 °C with a new component showing a 40 Å-periodicity, which cannot either be explained in the above manner. Paracrystalline distortions of the arrangement of the bilayers can be justified by orientational disorder of the galactose heads.

The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: high-resolution X-ray diffraction, vibrational spectroscopy and computational study

2019 ◽  
Vol 7 (18) ◽  
pp. 5497-5505
Author(s):  
Ievgen V. Odynets ◽  
Sergiy Khainakov ◽  
Santiago Garcia-Granda ◽  
Roman Gumeniuk ◽  
Matthias Zschornak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Visible Light ◽  
Crystal Lattice ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
X Ray Diffraction ◽  
Piezoelectric Semiconductor ◽  
X Ray

The crystal lattice of piezoelectric semiconductor Sr2Nb2V2O11 adopts Cc ordering due to Γ2− mode distortion.

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