scholarly journals Possibilities of binding organic molecules within the enamel crystal structure in dogs

2005 ◽  
Vol 55 (2-3) ◽  
pp. 227-236 ◽  
Author(s):  
Tihacek-Sojic Ljiljana
Keyword(s):  
Crystal Structure ◽  
Organic Molecules ◽  
Enamel Crystal

scholarly journals Crystal Structure Dependence of the Energy Transfer from Tb(III) to Yb(III) in Metal–Organic Frameworks Based in Bispyrazolylpyridines

Crystals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 69 ◽  
Author(s):  
Paloma Martinez-Martin ◽  
Josefina Perles ◽  
Juan Carlos Rodriguez-Ubis
Keyword(s):  
Crystal Structure ◽  
Energy Transfer ◽  
Organic Molecules ◽  
Metal Organic Frameworks ◽  
Structure Dependence ◽  
Characteristic Emission ◽  
Metal Organic ◽  
Lanthanide Metal ◽  
Coordinated Water ◽  
Luminescent Behavior

Luminescent mixed lanthanide metal−organic framwork (MOF) materials have been prepared from two polyheterocyclic diacid ligands, 2,6-bis(3-carboxy-1-pyrazolyl)pyridine and 2,6-bis(4-carboxy-1-pyrazolyl)pyridine. The crystal structures of the two organic molecules are presented together with the structures for the MOFs obtained by hydrothermal synthesis either with Yb(III) or mixed Tb(III)/Yb(III) ions. Different coordination architectures result from each ligand, revealing also important differences between the lanthanides. The mixed lanthanide metal−organic frameworks also present diverse luminescent behavior; in the case of 2,6-bis(4-carboxy-1-pyrazolyl)pyridine, where no coordinated water is present in the metal environment, Tb(III) and Yb(III) characteristic emission is observed by excitation of the bispyrazolylpyridine chromophore.

scholarly journals Crystal Structure of the Trihydrate of the Neuraminidase Inhibitor C15H28N4O4 (Peramivir), a Potential Influenza A/B and Avian-influenza (H5N1) Drug

2007 ◽  
Vol 62 (8) ◽  
pp. 983-987 ◽  
Author(s):  
Egbert Keller ◽  
Volker Krämer
Keyword(s):  
Crystal Structure ◽  
Avian Influenza ◽  
Influenza A ◽  
Organic Molecules ◽  
Neuraminidase Inhibitor ◽  
X Rays ◽  
Water Layers ◽  
Long Time ◽  
Influenza H5n1 ◽  
Water Contents

The crystal structure of the trihydrate of peramivir (C15H28N4O4), a potential influenza A/B and avian-influenza drug, has been determined. The structure, belonging to the tetragonal space group P42212 with Z = 32, a = 27.216(4), c = 23.084(5) Å, V = 17098(5) Å3, contains four organic molecules plus 12 partially disordered water molecules per asymmetric unit. 16 Organic molecules per unit cell form a kind of 1D infinite micelle separated from vicinal micelles by approximately planar water layers. During exposure to X-rays or under long-time storage on air peramivir trihydrate undergoes a phase transition to a structurally closely related phase with reduced water contents.

N-Methyl-N-cis-styrylcinnamamide monohydrate, a compound of Clausenaminade from Clausena lansium (Lour.) Skeels

2006 ◽  
Vol 62 (5) ◽  
pp. o1987-o1988 ◽  
Author(s):  
Xue-Song Huang ◽  
Shi-Yi Ou ◽  
Shu-Ze Tang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Organic Molecules ◽  
Water Molecules ◽  
Humid Air ◽  
Compound C ◽  
Hydrogen Bonded

The anhydrous form of the title compound, C18H17NO·H2O, was isolated from the dried seed of Clausena lansium (Lour.) Skeels. The liquid anhydrous form absorbs water from humid air to form crystals of the title compound. In the crystal structure, the conformations of the styryl and cinnamamide groups are E and Z, respectively. The uncoordinated water molecules are hydrogen bonded to the organic molecules.

scholarly journals 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1339-o1339 ◽  
Author(s):  
Mohammad Hossein Mosslemin ◽  
Mohammad Reza Nateghi ◽  
Hesamaddin Sadoughi ◽  
Asal Lamei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Organic Molecules ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Organic Species ◽  
Compound C ◽  
Phenyl Rings

The asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H...O hydrogen bond, while the water molecules are connected to them through intermolecular O—H...N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N—H...F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into chains.

scholarly journals Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o945-o946 ◽  
Author(s):  
Simone Haslinger ◽  
Gerhard Laus ◽  
Klaus Wurst ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Molecules ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Compound C ◽  
Phenyl Rings

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by CuI-catalysed azide–alkyne cycloaddition from 2-azido-1-methylimidazole and phenylethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 Å) and the pendant imidazole (r.m.s. deviation = 0.006 Å) and phenyl rings are 12.3 (2) and 2.54 (19)°, respectively. In the crystal, the water molecules are connected into [010] chains by O—H...O hydrogen bonds, while O—H...N hydrogen bonds connect the water molecules to the organic molecules, generating corrugated (100) sheets.

Synthesis of New 7,8-Dioxa[6]helicenes with Triazole Rings as Potential Molecular Tweezers

Synlett ◽  
2019 ◽  
Vol 30 (13) ◽  
pp. 1546-1550 ◽  
Author(s):  
Nilay Kasabali ◽  
Hande Gunduz ◽  
Kerem Kaya ◽  
Volkan Kumbaraci ◽  
Naciye Talinli
Keyword(s):  
Crystal Structure ◽  
Metal Ions ◽  
Structure Analysis ◽  
Organic Molecules ◽  
Crystal Structure Analysis ◽  
Molecular Tweezers ◽  
Dimeric Structure

This study introduces new triazole-linked host compounds, which have been synthesized from 7,8-dioxa-bisnaphthalene and 7,8-dioxa[6]helicenes. These compounds have different cavities depending on being ‘v’-shaped or helicene structures. The dimeric structure of 7,8-dioxa-bisnaphthalene has also been obtained and crystal structure analysis confirmed that it contains an unusual seven-membered dihydrooxepine ring. All synthesized compounds can act as molecular tweezers for organic molecules and also metal ions.

Mining Predicted Crystal Structure Landscapes with High Throughput Crystallization: Old Molecules, New Insights

2019 ◽  
Author(s):  
Peng Cui ◽  
David P. McMahon ◽  
Peter Spackman ◽  
Ben M. Alston ◽  
Marc A. Little ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Throughput ◽  
Structure Prediction ◽  
Organic Molecules ◽  
Screening Method ◽  
Molecular Crystals ◽  
Crystal Structure Prediction ◽  
Tetracarboxylic Acid ◽  
Trimesic Acid ◽  
Interconnected Pores

<a></a><a>Organic molecules tend to close pack to form dense structures when they are crystallized from organic solvents. Porous molecular crystals defy this rule: they typically crystallize with lattice solvent in the interconnected pores. However, the design and discovery of such structures is often challenging and time consuming, in part because it is difficult to predict solvent effects on crystallization. Here, we combine crystal structure prediction (CSP) with a high-throughput crystallization screening method to accelerate the discovery of stable hydrogen-bonded frameworks. We exemplify this strategy by finding new phases of two well-studied molecules in a computationally targeted way. Specifically, we find a new porous polymorph of trimesic acid, δ-<b>TMA</b>, that has a guest free hexagonal pore structure, as well as three new solvent-stabilized diamondoid frameworks</a> of adamantane-1,3,5,7-tetracarboxylic acid (<b>ADTA</b>).

Sign in / Sign up

Export Citation Format

Share Document