Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/

2004 ◽  
Vol 28 (6) ◽  
pp. 756 ◽  
Author(s):  
Ishtvan Boldog ◽  
Eduard B. Rusanov ◽  
Joachim Sieler ◽  
Konstantin V. Domasevitch
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Supplementary Information ◽  
Cooperative Association

(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 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

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)°.

Self-assembly sodalite-like frameworkElectronic supplementary information (ESI) available: Preparation, crystal structure determination and refinement details. See http://www.rsc.org/suppdata/dt/b3/b316981b/

2004 ◽  
pp. 695 ◽  
Author(s):  
Pavlo V. Solntsev ◽  
Joachim Sieler ◽  
Alexander N. Chernega ◽  
Judith A. K. Howard ◽  
Thomas Gelbrich ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Self Assembly ◽  
Crystal Structure Determination ◽  
Supplementary Information
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