Influence of metal cations on the intramolecular hydrogen-bonding network and pK_ in phosphorylated compounds

2006 ◽  
pp. 996-998
Author(s):  
Ping Yang ◽  
Pushpalatha Murthy ◽  
Richard Brown
Keyword(s):  
Hydrogen Bonding ◽  
Metal Cations ◽  
Intramolecular Hydrogen Bonding ◽  
Phosphorylated Compounds ◽  
Hydrogen Bonding Network ◽  
Intramolecular Hydrogen

Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate

2018 ◽  
Vol 74 (5) ◽  
pp. 542-547
Author(s):  
Paul Jurek ◽  
Garry E. Kiefer ◽  
Frank R. Fronczek
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Temperature Structure ◽  
Intermolecular Hydrogen Bonding ◽  
Space Group ◽  
Pendant Arm ◽  
Polymorphic Forms ◽  
Higher Temperature ◽  
Hydrogen Bonding Network ◽  
Intramolecular Hydrogen

The structural chemistry of 2-[4,7,10-tris(carbamoylmethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid dihydrate, C16H31N7O5·2H2O, is described. The macrocyclic compound, also known by the abbreviation DOTAM-mono-acid, crystallized at room temperature and was isolated concomitantly as two polymorphic forms. The structures of both polymorphs were determined at 90 K. The first polymorph crystallized as a zwitterionic dihydrate [systematic name: 4,7,10-tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate] in the space group P21/n, with Z′ = 1. The second polymorph crystallized as a zwitterionic dihydrate in the space group P21 at 90 K, with Z′ = 2. The two independent molecules are related by a local center. In each polymorph, the zwitterion is formed between the negatively-charged carboxylate group and the ring N atom that bears the acetate pendant arm. Extensive inter- and intramolecular hydrogen bonding exists in both polymorphic structures. In polymorph 1, an intermolecular hydrogen-bonding network propagating parallel to the a direction creates an infinite chain. A second hydrogen-bonding network is observed through a water molecule of hydration in the b direction. Polymorph 2 also has two intermolecular hydrogen-bonding networks. One propagates parallel to the a direction, while the other propagates in the [\overline{1}10] direction. Increasing the temperature of polymorph 2 yields the same structure at T = 180 K, but the pseudocenter becomes exact at 299 K. The higher-temperature structure has Z′ = 1 in the space group P21/c.

C5-Symmetric Chiral Corannulenes: Desymmetrization of Bowl Inversion Equilibrium via “Intramolecular” Hydrogen-Bonding Network

2014 ◽  
Vol 136 (30) ◽  
pp. 10640-10644 ◽  
Author(s):  
Jiheong Kang ◽  
Daigo Miyajima ◽  
Yoshimitsu Itoh ◽  
Tadashi Mori ◽  
Hiroki Tanaka ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Network ◽  
Intramolecular Hydrogen

Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network

2016 ◽  
Vol 24 (16) ◽  
pp. 3513-3520 ◽  
Author(s):  
Simone Sciabola ◽  
Gilles H. Goetz ◽  
Guoyun Bai ◽  
Bruce N. Rogers ◽  
David L. Gray ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Network ◽  
Intramolecular Hydrogen

Synthesis and Inclusion Properties of thiacalix[4]arene tetraamides in cone- and 1,3-alternate conformation

2007 ◽  
Vol 2007 (10) ◽  
pp. 557-560 ◽  
Author(s):  
Shofiur Rahman ◽  
Nazneen Begum ◽  
Carol Pérez-Casas ◽  
Akina Yoshizawa ◽  
Takehiko Yamato
Keyword(s):  
Hydrogen Bonding ◽  
Solvent Extraction ◽  
Alkali Metal ◽  
Metal Cations ◽  
Intramolecular Hydrogen Bonding ◽  
Alkali Metal Cations ◽  
Two Phase ◽  
Inclusion Properties ◽  
Intramolecular Hydrogen

Novel thiacalix[4]arene tetraamides in cone- and 1,3- alternate conformation were prepared, in which the cone-tetraamide shows stronger intramolecular hydrogen bonding than 1,3- alternate-tetraamide. The two-phase solvent extraction data indicated that tetraamides show no extractability for alkali metal cations, but small extractability for dichromate anion (Cr2O72-).

scholarly journals Synthesis, structure and reactivity of FeII/III–NH3 complexes bearing a tripodal sulfonamido ligand

2014 ◽  
Vol 50 (19) ◽  
pp. 2515-2517 ◽  
Author(s):  
Nathaniel S. Sickerman ◽  
Sonja M. Peterson ◽  
Joseph W. Ziller ◽  
A. S. Borovik
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Network ◽  
Intramolecular Hydrogen

Complexes [MnMST(NH3)]n−3 (Mn = FeII, FeIII, GaIII) were prepared and each contains a intramolecular hydrogen bonding network involving the ammonia ligand.

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