Halogen bonding in the structures of pentaiodobenzoic acid and its salts

CrystEngComm ◽  
2019 ◽  
Vol 21 (43) ◽  
pp. 6666-6670 ◽  
Author(s):  
Sergey A. Adonin ◽  
Mikhail A. Bondarenko ◽  
Alexander S. Novikov ◽  
Pavel A. Abramov ◽  
Maxim N. Sokolov ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Halogen Bonding ◽  
First Time

Structural characterization of pentaiodobenzoic acid (PIBA) and its salts was performed for the first time.

Spectroscopic and structural characterization of three silaisocyanides: exploring an elusive class of reactive molecules at high resolution

2015 ◽  
Vol 51 (56) ◽  
pp. 11305-11308 ◽  
Author(s):  
Sven Thorwirth ◽  
Ralf I. Kaiser ◽  
Kyle N. Crabtree ◽  
Michael C. McCarthy
Keyword(s):  
High Resolution ◽  
Spectral Resolution ◽  
Structural Characterization ◽  
High Spectral Resolution ◽  
First Time

The fundamental silaisocyanides HCCNSi, HC4NSi, and NCNSi have been characterized at high spectral resolution for the first time. All three chains are good candidates for radio astronomical detection.

Thermodynamic and Structural Characterization of Halogen Bonding in Protein–Ligand Interactions: A Case Study of PDE5 and Its Inhibitors

2014 ◽  
Vol 57 (8) ◽  
pp. 3588-3593 ◽  
Author(s):  
Jing Ren ◽  
Yang He ◽  
Wuyan Chen ◽  
Tiantian Chen ◽  
Guan Wang ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Halogen Bonding ◽  
Protein Ligand Interactions ◽  
Ligand Interactions

scholarly journals Complexes of Lapachol and Lawsone with Lanthanides

2015 ◽  
Vol 10 (11) ◽  
pp. 1934578X1501001
Author(s):  
Salvatore Genovese ◽  
Vito Alessandro Taddeo ◽  
Francesco Epifano ◽  
Serena Fiorito
Keyword(s):  
Transition Metals ◽  
Structural Characterization ◽  
Preliminary Data ◽  
Short Communication ◽  
Naturally Occurring ◽  
Cytotoxic Compounds ◽  
First Time

Naturally occurring 2-hydroxy-1,4-naphthoquinones are well known to form readily stable complexes with transition metals. In this short communication we describe for the first time the synthesis and preliminary data about structural characterization of complexes between two naturally widespread 2-hydroxy-1,4-naphthoquinones, namely lapachol (1) and lawsone (2), with selected lanthanides like lanthanum, gadolinium, and ytterbium. When tested as cytotoxic compounds, such complexes exhibited an activity that was either higher or equal to that of the parent naphthoquinone.

scholarly journals Molecular modeling and structural characterization of a high glycine–tyrosine hair keratin associated protein

2017 ◽  
Vol 19 (12) ◽  
pp. 8575-8583 ◽  
Author(s):  
Rakesh S. Singh ◽  
Jeremy C. Palmer ◽  
Paul D. A. Pudney ◽  
Prem K. C. Paul ◽  
Christian Johannessen ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Modeling ◽  
Structural Characterization ◽  
Matrix Protein ◽  
Hair Keratin ◽  
First Time

For the first time, the molecular structure of a hair cortical matrix protein KAP8.1 has been characterised using modelling and spectroscopy.

Epitaxial Growth and Structural Characterization of Single Crystalline ZnGeN2

1998 ◽  
Vol 537 ◽  
Author(s):  
L.D. Zhu ◽  
P.H. Maruska ◽  
P.E. Norris ◽  
P.W. Yip ◽  
L.O. Bouthillette
Keyword(s):  
Epitaxial Growth ◽  
Structural Characterization ◽  
Single Crystalline ◽  
Group Iii ◽  
Lattice Constants ◽  
Wurtzite Lattice ◽  
Nitride Semiconductor ◽  
First Time

AbstractA new nitride semiconductor, single crystalline ZnGeN2 has been successfully grown by MOCVD for the first time. The epitaxial ZnGeN2 is found to be of hexagonal wurtzite lattice without ordering of the zinc and germanium atoms in the pseudomorphic Group III sublattice. Lattice constants of the ZnGeN2 are a = 3.186 ± 0.007 A, c = 5.174 ± 0.012 A, which gives c/a = 1.624.

Wechselwirkungen in Kristallen, 112 [1]. Tetra(2-pyridyl)pyrazin - ein vielseitiger Ligand für Lewis-Säuren: Halb- und doppelschalige Komplexe von Kupfer(II)- und Nickel(II)-Salzen / Interactions in Crystals, 112 [1]. Tetra(2-pyridyl)pyrazine - a Versatile Ligand for Lewis Acids: Semi- and Doubly-Encapsulated Complexes of Copper(II) and Nickel(II) Salts

1997 ◽  
Vol 52 (4) ◽  
pp. 515-523 ◽  
Author(s):  
Hans Bock ◽  
Holger Schödel ◽  
Thorsten Vaupel
Keyword(s):  
Crystal Structures ◽  
Structural Characterization ◽  
Lewis Acids ◽  
Reduction Potential ◽  
Polymer Chains ◽  
Distorted Octahedron ◽  
Extensive Search ◽  
Structural Database ◽  
First Time

Preceding cyclovoltammetric measurements of tetra(2-pyridyl)pyrazine (TPP) in aprotic THF solution and the lowering of the reduction potential on Li+[B(C6H5)4 ] addition, the crystallization of diprotonated [TPPH2++][B(CAH5)4-]2 and of [2,4,6-tris(2-pyridyl)-1,3,5- triazine(Li+)][B(C6H5)4-] have stimulated the preparation and structural characterization of the following (TPP)1,2 copper(II) and (TPP)2 nickel(II) salts: (1) Green TTP-copper(II)- dichlorideacetonitrile with Cu2+ fivefold coordinated by three N contacts to one TPP ligand and by two Cl anions, (2) green di(TPP)-copper(II)-di(perchlorate)·2 acetonitrile with fully encapsulated Cu2+ coordinated to six N centers of two TPP ligands, and (3) the analogous nickel(II) complex, brown di(TPP)-nickel(II)-bis-(tetrafluoroborat)·3 water-methanol. Both complexes [(TPP)Me2+(TPP)](X-)2 with the Me2+ dications in the cavity provided by two twisted TPP ligands are reported for the first time. The discussion of the crystal structures is based on an extensive search in the Cambridge Structural Database, which confirms the distortion mode around the penta-coordinated Cu2+ center, and a more strongly distorted octahedron at the Cu2+ center relative to that at the six-coordinate Ni2+ center as well as shorter contacts Me2+ ··· N to the pyrazine N centers than to the pyridine N centers. The comparison of the monodentate terpyridyl ligand with the bidentate tetra(2-pyridyl)pyrazine suggests the preparation of Me+n-bridged polymer chains terminated by terpyridyl complexation.

Structural Characterization of Novel Ionic Salts Incorporating Trihalide Anions

2009 ◽  
Vol 62 (4) ◽  
pp. 334 ◽  
Author(s):  
Pamela M. Dean ◽  
Bronya R. Clare ◽  
Vanessa Armel ◽  
Jennifer M. Pringle ◽  
Craig M. Forsyth ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Physical Properties ◽  
Crystal Structures ◽  
Structural Characterization ◽  
Lower Melting ◽  
Ionic Salts ◽  
First Time

The crystal structures of several low-melting salts containing trihalide ions, namely 1-ethyl-3-methylimidazolium tribromide ([C2mim][Br3]), 1-ethyl-1-methylpyrrolidinium tribromide ([C2mpyr][Br3]), and 1-propyl-1-methylpyrrolidinium triiodide ([C3mpyr][I3]), are reported for the first time. Thermal analysis reveals that the tribromide salts are lower-melting than their monohalide analogues. Analysis of the crystal structures allows examination of the influence of the anions on the physical properties of the salts.

The Synthesis and Structural Characterization of Peralkylated Triguanide Superbases

2014 ◽  
Vol 67 (7) ◽  
pp. 1129 ◽  
Author(s):  
Vjekoslav Štrukil ◽  
Edislav Lekšić ◽  
Ernest Meštrović ◽  
Mirjana Eckert-Maksić
Keyword(s):  
Diffraction Analysis ◽  
Gas Phase ◽  
Structural Characterization ◽  
Positive Charge ◽  
Coupling Reaction ◽  
Chloride Salt ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Time

Organic superbases derived from a peralkylated triguanide framework have been synthesized in a coupling reaction between monosubstituted guanidines and a Vilsmeier salt. Single crystal X-ray diffraction analysis of the chloride salt allowed the structural characterization of the benzyl derivative for the first time and revealed an effective delocalization of the positive charge despite significant distortion of the triguanide cation planarity. With the calculated gas phase basicity ranging from 262 to 265 kcal mol–1 and pKa values in acetonitrile between 28 and 30, these compounds have been evaluated as potential organocatalysts in the transesterification reaction of vegetable oil.

Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands

2016 ◽  
Vol 45 (9) ◽  
pp. 4030-4040 ◽  
Author(s):  
Saket Patel ◽  
Meenakshi Meenakshi ◽  
Ananda S. Hodage ◽  
Ajay Verma ◽  
Shailendra Agrawal ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Monomeric Form ◽  
First Time

The present work describes the synthesis and structural characterization of mercury selenolate complexes derived from 2-phenylbenzamide ligands and their isolation in monomeric form for the first time.

scholarly journals Epitaxial Growth and Structural Characterization of Single Crystalline ZnGeN2

1999 ◽  
Vol 4 (S1) ◽  
pp. 149-154 ◽  
Author(s):  
L.D. Zhu ◽  
P.H. Maruska ◽  
P.E. Norris ◽  
P.W. Yip ◽  
L.O. Bouthillette
Keyword(s):  
Epitaxial Growth ◽  
Structural Characterization ◽  
Single Crystalline ◽  
Group Iii ◽  
Lattice Constants ◽  
Wurtzite Lattice ◽  
Nitride Semiconductor ◽  
First Time

A new nitride semiconductor, single crystalline ZnGeN2 has been successfully grown by MOCVD for the first time. The epitaxial ZnGeN2 is found to be of hexagonal wurtzite lattice without ordering of the zinc and germanium atoms in the pseudomorphic Group III sublattice. Lattice constants of the ZnGeN2 are a = 3.186 ± 0.007 A, c = 5.174 ± 0.012 A, which gives c/a = 1.624.

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