The Solution and Solid State Structure of L-Carnitine L-Tartrate

1998 ◽  
Vol 53 (8) ◽  
pp. 788-791 ◽  
Author(s):  
Hubert Schmidbaur ◽  
Annette Schier ◽  
Angela Bayler
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Tartaric Acid ◽  
Title Compound ◽  
State Structure ◽  
Hygroscopic Properties ◽  
Anions And Cations ◽  
Ionic Components ◽  
Tartrate Anion

Abstract L-Carnitine forms a salt-like 2:1 adduct with L-tartaric acid which crystallizes in the or-thorhombic space group P212121 with Z = 4 formula units in the unit cell. The lattice is composed of an L-tartrate dianion and two crystallographically independent L-carnitinium cations. The two cations show only very minor differences in their conformation. Anions and cations are arranged in separate stacks which are linked via hydrogen bonds. The tartrate anion and the carnitinium cations show standard geometries known from the structures of other salts of these ions, like the L-carnitine component of the R,L-carnitinium chloride or the dianion in alkali tartrates. The title compound has galenic advantages as an L-carnitine drug because of its non-hygroscopic properties. Aqueous solutions have been shown to contain solvated ionic components, i.e. L-tartrate and L-hydrogentartrate anions, L-tartaric acid (15:70:15) and carnitinium cations. The title compound can therefore be classified as a genuine L-carnitinium salt of L-tartaric acid.

Crystal Engineering of a New Layered Polyiodide Using 1,9-Diammoniononane as a Flexible Template Cation

2004 ◽  
Vol 59 (10) ◽  
pp. 1114-1117 ◽  
Author(s):  
Guido J. Reiß ◽  
Judith S. Engel
Keyword(s):  
Thermal Analysis ◽  
Hydrogen Bonding ◽  
Raman Spectrum ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Crystal Engineering ◽  
Title Compound ◽  
State Structure ◽  
Cooperative Phenomenon ◽  
Weak Hydrogen Bonds

AbstractThe reaction of 1,9-diaminononane with hydroiodic acid in the presence of iodine gave a compound best described as 1,9-diammoniononane bis-triiodide iodine, (H3N-(CH2)9-NH3)[I3]2 · I2. The structure is built from two crystallographically independent I3− anions, which are connected via secondary I···I interactions to the iodine molecules, and the 1,9-diammonioalkane cations are connected via weak hydrogen bonds to neighbouring iodine atoms. By a cooperative phenomenon, the shape and the functionality of the cation lead to a solid state structure that includes a polyiodide substructure with the formula 2∞[I8]2− or 2∞[I3 · I2 · I3]2−, is best described as a brick-shaped layered array. Its rectangular pores fit excellently with the hydrogen bonding functionality as well as with the conformational needs of the 1,9-diammoniononane template. The Raman spectrum shows typical bands of coordinated triiodide anions and iodine molecules. The thermal analysis (DSC/TG) of the title compound indicates decomposition at temperatures above 210°C.

Synthesis and Solid-State Structure of (4-Hydroxy-3,5-diiodophenyl)phosphine Oxides. Dimeric Motifs with the Assistance of O-H···O=P Hydrogen Bonds

2015 ◽  
Vol 19 (5) ◽  
pp. 469-474 ◽  
Author(s):  
Nicholas Bewick ◽  
Agata Arendt ◽  
Yan Li ◽  
S.awomir Szafert ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Phosphine Oxides ◽  
State Structure ◽  
Solid State Structure

scholarly journals 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Jayaraman Selvakumar ◽  
Kuppuswamy Arumugam
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Structural Analysis ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Density Peaks ◽  
Solvent Molecules

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.

scholarly journals N,N-Dimethyl-2-[(1E)-({[(methylsulfanyl)methanethioyl]amino}imino)methyl]aniline

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Winaki P. Sohtun ◽  
Arunachalam Kannan ◽  
Saravanan Dhandayutham ◽  
Marappan Velusamy
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Tautomeric Form ◽  
Compound C

In the title compound, C11H15N3S2, the dithiocarbazate moiety is rotated by 18.73 (8)° with respect to the benzene ring. The dithiocarbazate group adopts anEconfiguration with respect to the C=N bond of the benzylidene group. Furthermore, in the solid state the compound exists in the thione tautomeric form. In the crystal, molecules are linked by pairs of weak N—H...S hydrogen bonds, forming inversion dimers which are arranged in layers parallel to (010).

scholarly journals 1-[N-Methyl-N-(Phenyl)amino]-3- (4-Methylphenyl)Thiourea

Molbank ◽  
10.3390/m1052 ◽  
2019 ◽  
Vol 2019 (1) ◽  
pp. M1052 ◽  
Author(s):  
Chien Yeo ◽  
Edward Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Title Compound ◽  
Molecular Conformation ◽  
Phenyl Hydrazine ◽  
X Ray ◽  
X Ray Crystallography

The title compound, 1-[N-methyl-N-(phenyl)amino]-3-(4-methylphenyl)thiourea (1), was synthesized by the reaction of 1-methyl-1-phenyl hydrazine and 4-tolyl isothiocyanate, and was characterized by spectroscopy (1H and 13C{1H} NMR, IR, and UV), elemental analysis as well as by single crystal X-ray crystallography. In the solid state, the molecule exists as the thioamide tautomer and features an anti-disposition of the thioamide–N–H atoms; an intramolecular N–H⋯N hydrogen bond is noted. The molecular conformation resembles that of the letter L. In the molecular packing, thioamide-N1–H⋯S1(thione) hydrogen bonds lead to centrosymmetric eight-membered {⋯HNCS}2 synthons. The dimers are assembled into a supramolecular layer in the bc-plane by phenyl- and methyl-C–H⋯π(phenyl) interactions.

Notizen: Solid State Structure of N,N-Dibenzylhydroxylamine

1995 ◽  
Vol 50 (4) ◽  
pp. 699-701 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Jürgen Riede ◽  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of N,N-dibenzylhydroxylamine (1) has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/n with four formula units in the unit cell. N,N-dibenzylhydroxylamine dimerizes to give N2O2H2 sixmembered rings as a result of the formation of two hydrogen bonds O - H ··· N in the solid state.

scholarly journals 2-(Cyclohexa-1,4-dienyl)acetic acid

2006 ◽  
Vol 62 (5) ◽  
pp. o1877-o1878 ◽  
Author(s):  
Bruno Therrien ◽  
Georg Süss-Fink
Keyword(s):  
Acetic Acid ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenylacetic Acid ◽  
Birch Reduction ◽  
Compound C

The title compound, C6H7CH2COOH, is formed by a standard Birch reduction of phenylacetic acid. As expected, a centrosymmetric head-to-tail dimer is observed in the solid state, formed through O—H...O hydrogen bonds.

scholarly journals Solid State Structure and Solution Thermodynamics of Three-Centered Hydrogen Bonds (O∙∙∙H∙∙∙O) Using N-(2-Benzoyl-phenyl) Oxalyl Derivatives as Model Compounds

Molecules ◽  
2014 ◽  
Vol 19 (9) ◽  
pp. 14446-14460 ◽  
Author(s):  
Carlos Gómez-Castro ◽  
Itzia Padilla-Martínez ◽  
Efrén García-Báez ◽  
José Castrejón-Flores ◽  
Ana Peraza-Campos ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Solution Thermodynamics ◽  
State Structure ◽  
Model Compounds ◽  
Solid State Structure

Bindung von Metall-Ionen an Dipeptide: Struktur von Thallium(I)-(3-benzyl-6-carboxylatomethyl-2,5-diketopiperazin) / Binding of Metal Ions by Dipeptides: Structure of Thallium(I) 3-Benzyl-6-carboxylatomethyl-2,5-diketopiperazine

1992 ◽  
Vol 47 (7) ◽  
pp. 952-956
Author(s):  
P. Mikulcik ◽  
P. Bissinger ◽  
J. Riede ◽  
H. Schmidbaur
Keyword(s):  
Solid State ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Carbonyl Oxygen ◽  
State Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystalline Product ◽  
Oxygen Atoms

Ester cleavage of aspartame (L-α-aspartyl-L-phenylalanine methylester) (1), by equimolar quantities of thallium ethoxide is accompanied by intramolecular cyclisation to give thallium 3-benzyl-6-(carboxylatomethyl)-2,5-dioxopiperazine (2). The solid state structure of the crystalline product was determined by single-crystal X-ray diffraction analysis. The cations were found to form four short and four elongated contacts to seven oxygen atoms and one nitrogen atom of a total of six neighbouring 3-benzyl-6-(carboxylatomethyl)-2,5-dioxopiperazine anions. There are inter-anionic hydrogen bonds only between the imino groups and the carbonyl oxygen atoms (O3, O4), featuring a pattern similar to that found for cytosine-guanosine contacts in DNA.

scholarly journals Bis(3-methylpiperidinium) naphthalene-1,5-disulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1687-o1687 ◽  
Author(s):  
Qian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Anions And Cations

The asymmetric unit of the title compound, 2C6H14N+·C10H6O6S2 2−, contains one 3-methylpiperidinium cation and one-half of the centrosymmetric naphthalene-1,5-disulfonate anion. In the crystal, anions and cations are linked through N—H...O hydrogen bonds into layers parallel to (101).

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