scholarly journals Crystal Structure Determination and Hydrogen-Bonding Patterns in 2-Pyridinecarboxamide

2012 ◽  
Vol 01 (03) ◽  
pp. 30-34 ◽  
Author(s):  
Gerzon E. Delgado ◽  
Asiloé J. Mora ◽  
Marilia Guillén-Guillén ◽  
Jeans W. Ramírez ◽  
Jines E. Contreras
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Bonding Patterns

(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate

2000 ◽  
Vol 57 (1) ◽  
pp. o58-o60
Author(s):  
Sean P. Bew ◽  
Mark E. Light ◽  
Michael B. Hursthouse ◽  
David W. Knight ◽  
Robert J. Middleton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Relative Stereochemistry

The crystal structure determination of the title compound, C13H15IO4, has allowed the relative stereochemistry between the tetrasubstituted C atoms on the tetrahydrofuran moiety to be confirmed. The title compound is a precursor of the ionophoric antibiotic Aplasmomycin. The compound is involved in both intra- and intermolecular hydrogen bonding, the latter link the molecules into chains running along thebaxis.

Triethylammonium halides, Et3NHX (X = Cl, Br, I): simple structure, complex spectrum

1985 ◽  
Vol 63 (7) ◽  
pp. 1750-1758 ◽  
Author(s):  
Margaret Ann James ◽  
T. Stanley Cameron ◽  
Osvald Knop ◽  
Murray Neuman ◽  
Michael Falk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Ir Spectra ◽  
Structure Determination ◽  
Room Temperature ◽  
Simple Structure ◽  
Fermi Resonance ◽  
Crystal Structure Determination ◽  
Complex Spectrum ◽  
Resonance Interactions

A crystal structure determination has shown that the ethyl groups in the three isostructural (P63mc, Z = 2) triethylammonium halides, Et3NHX (X = Cl, Br, I), at room temperature are orientationally disordered and the [Formula: see text] groups are linear by symmetry. The unusual extent and complexity of the NH and ND stretching absorptions in the ir spectra of all three compounds between 10 and 293 K are discussed in terms of Fermi resonance interactions. The centroid ν(NH) and ν(ND) frequencies extracted from the spectra correlate with the [Formula: see text] distances. It is shown that if Fermi resonance is the sole cause of the complexity of the stretching absorptions, then these centroids represent the ν(NH) and ν(ND) frequencies unperturbed by Fermi resonance. The centroid frequencies in the three halides are unusually low, pointing to strong [Formula: see text] hydrogen bonding.

scholarly journals N-Butyl-4-butylimino-2-methylpentan-2-aminium (E)-quercetinate

2012 ◽  
Vol 68 (8) ◽  
pp. o2450-o2450 ◽  
Author(s):  
Ioana-Georgeta Grosu ◽  
Gheorghe Borodi ◽  
Mihaela Maria Pop
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Ring Systems ◽  
Dimensional Network ◽  
Amine Molecule

The title salt, C14H31N2+·C15H9O7−, was obtained in the reaction of quercetin withn-butylamine in a mixture of acetone and hexane. The crystal structure determination shows that the quercetin donates one of its phenol H atoms to theN-butyl-4-butylimino-2-methylpentan-2-amine molecule. The crystal structure of the salt is stabilized by intramolecular (N—H...N for the cation and O—H...O for the anion) and intermolecular hydrogen bonding (N—H...O between cation–anion pairs and O—H...O between anions). Quercetin molecules form dimers connected into a two-dimensional network. The dihedral angle between the quercetin ring systems is 19.61 (8)°.

Crystal Structure Determination of Glycerol-Containing Lipids from Electron Diffraction Data. Use of Analog Compounds Based upon Configurational Isomers of Cyclopentane-1, 2, 3-TRIOL

1977 ◽  
Vol 35 ◽  
pp. 24-25
Author(s):  
Douglas L. Dorset ◽  
Anthony J. Hancock
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Surface ◽  
Coherent Scattering ◽  
Crystal Structure Determination ◽  
Electron Diffraction Data ◽  
Polar Group ◽  
Axis Orientation

Lipids containing long polymethylene chains were among the first compounds subjected to electron diffraction structure analysis. It was only recently realized, however, that various distortions of thin lipid microcrystal plates, e.g. bends, polar group and methyl end plane disorders, etc. (1-3), restrict coherent scattering to the methylene subcell alone, particularly if undistorted molecular layers have well-defined end planes. Thus, ab initio crystal structure determination on a given single uncharacterized natural lipid using electron diffraction data can only hope to identify the subcell packing and the chain axis orientation with respect to the crystal surface. In lipids based on glycerol, for example, conformations of long chains and polar groups about the C-C bonds of this moiety still would remain unknown.One possible means of surmounting this difficulty is to investigate structural analogs of the material of interest in conjunction with the natural compound itself. Suitable analogs to the glycerol lipids are compounds based on the three configurational isomers of cyclopentane-1,2,3-triol shown in Fig. 1, in which three rotameric forms of the natural glycerol derivatives are fixed by the ring structure (4-7).

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