Investigation of intermolecular hydrogen bonding in 2,3,4,5,6 pentafluorobenzoic acid through molecular structure and vibrational analysis – A DFT approach

2015 ◽  
Vol 1083 ◽  
pp. 48-56 ◽  
Author(s):  
G. Subhapriya ◽  
S. Kalyanaraman ◽  
N. Surumbarkuzhali ◽  
S. Vijayalakshmi ◽  
V. Krishnakumar
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Vibrational Analysis ◽  
Intermolecular Hydrogen Bonding ◽  
Pentafluorobenzoic Acid

3,3′-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid

2006 ◽  
Vol 62 (7) ◽  
pp. o2791-o2792 ◽  
Author(s):  
Peng Wang ◽  
Jian Ping Ma ◽  
Ru-Qi Huang ◽  
Yu-Bin Dong
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Hydrogen Bonding Network

The title compound, C16H12N4O4, has a non-planar molecular structure. An intermolecular hydrogen-bonding network helps to stabilize the crystal structure.

cis-Aquabis(2,2′-bipyridine-N,N′)[dichromato(2–)-O1]nickel(II)

2000 ◽  
Vol 57 (1) ◽  
pp. m43-m45
Author(s):  
Nélida Fernández-González ◽  
Cristina González-Silgo ◽  
Javier González-Platas ◽  
Pedro Gili ◽  
Pedro Martín-Zarza
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Intermolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

The molecular structure of the title compound, [Ni(C10H8N2)2(H2O){Cr2O7}], contains an NiIIatom with a distortedcis-octahedral coordination formed by two chelating bipyridine (bipy) ligands [mean Ni—Nbipy = 2.068 (3) Å], one water molecule [Ni—O = 2.086 (3) Å] and an O atom of the dichromate anion [Ni—O = 2.083 (2) Å]. One of the water H atoms is involved in the intramolecular hydrogen bond with the terminal O atom of the dichromate ligand [O...O 2.743 (5) Å], whereas its second H atom participates in the intermolecular hydrogen bonding [O...O 2.688 (4) Å]; the latter is responsible for the formation of the infinite chains stretching along the polarcaxis of the crystal.

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