The crystal and molecular structure of sodium pentacyanoammineferrate(II) heptahydrate. Role of intermolecular hydrogen-bond interactions

2001 ◽  
Vol 319 (1-2) ◽  
pp. 199-202 ◽  
Author(s):  
Alejandro R. Parise ◽  
Oscar E. Piro ◽  
Eduardo E. Castellano ◽  
José A. Olabe
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Crystal And Molecular Structure ◽  
Intermolecular Hydrogen Bond ◽  
Hydrogen Bond Interactions

Molecular structure, spectroscopic signatures and reactivity analyses of paracetamol hydrochloride monohydrate salt using density functional theory calculations

CrystEngComm ◽  
2018 ◽  
Author(s):  
Karnica Srivastava ◽  
Anuradha Shukla ◽  
Karthick Thangavel ◽  
Sitaram Velaga ◽  
Poonam Tandon ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Density Functional Theory ◽  
Density Functional ◽  
Intermolecular Hydrogen Bond ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Hydrogen Bond Interactions ◽  
Hydrochloride Monohydrate ◽  
Spectroscopic Signatures

The aim of the present study is to understand the role of intermolecular hydrogen bond interactions present in the paracetamol hydrochloride monohydrated salt. Paracetamol hydrochloride monohydrate salt (PRA-HCl), along with...

(4-Pyridyl)methyl N-phenylthiocarbamate

2006 ◽  
Vol 62 (7) ◽  
pp. o2852-o2853 ◽  
Author(s):  
Hai-Lian Xiao ◽  
Ke-Fei Wang ◽  
Fang-Fang Jian
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Phenyl Isothiocyanate ◽  
Dioxane Solution ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C13H12N2OS, was prepared by the reaction of (4-pyridyl)methanol with phenyl isothiocyanate and NaOH in a 1,4-dioxane solution. The asymmetric unit contains two independent molecules. The molecular structure and packing are stabilized by N—H...N intermolecular hydrogen-bond interactions and C—H...π interactions.

The crystal and molecular structure of endo-7-hydroxy-2,4-dioxa-3-oxobicyclo[3.3.1]nonane

1984 ◽  
Vol 62 (7) ◽  
pp. 1271-1274 ◽  
Author(s):  
Winnie Wong-Ng ◽  
Stanley C. Nyburg
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Group ◽  
Orthorhombic Space Group ◽  
Space Group

The crystal and molecular structure of the title compound are described. Crystals are orthorhombic, space group Pna21, a = 10.977(3), b = 6.489(2), c = 9.811(2) Å, Z = four molecules per cell. Atom C(4), to which the hydroxyl group is attached, appears to have been moved outwards (away from hydroxyl). This resembles similar movements in chair–chair bicyclo[3.3.1]nonanes where intramolecular repulsion is thought to be responsible. In the present molecule, however, the more likely cause is the presence of an intermolecular hydrogen bond.

Crystal and molecular structure of d,l-dethiobiotin. Role of sulfur in biotin stereochemistry

1976 ◽  
Vol 98 (16) ◽  
pp. 4983-4990 ◽  
Author(s):  
Cheng-San Chen ◽  
R. Parthasarathy ◽  
George T. DeTitta
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure
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