The delineation of hydrogen-bonding patterns in supramolecular self-assembly of several core oxalo retro-peptides and crystal structure of MeO-Ser-Leu-COCO-Leu-Ser-OMe

2009 ◽  
Vol 46 (1) ◽  
pp. 18-23 ◽  
Author(s):  
ISABELLA L. KARLE ◽  
DARSHAN RANGANATHAN
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Self Assembly ◽  
Bonding Patterns

scholarly journals Hydrophobic dipeptides: the final piece in the puzzle

2018 ◽  
Vol 74 (3) ◽  
pp. 311-318 ◽  
Author(s):  
Carl Henrik Görbitz
Keyword(s):  
Crystal Structure ◽  
Amino Acids ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Peptide Conformations ◽  
Bonding Patterns

The crystal structure of L-valyl-L-leucine acetonitrile solvate presented here adds to 24 previously reported structures of dipeptides constructed from the five nonpolar amino acids L-alanine, L-valine, L-isoleucine, L-leucine and L-phenylalanine. It thus constitutes the final piece in the 5 × 5 puzzle of hydrophobic dipeptide structures. This opportunity is taken to review the crystal packing arrangements and hydrogen-bonding preferences of a rather unique group of substances, with updated information on the various hydrogen-bonding patterns and the associated peptide conformations.

Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin

2004 ◽  
Vol 60 (2) ◽  
pp. 204-210 ◽  
Author(s):  
Victor Hugo Soto Tellini ◽  
Aida Jover ◽  
Luciano Galantini ◽  
Francisco Meijide ◽  
José Vázquez Tato
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Self Assembly ◽  
The Self ◽  
Linear Polymer ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Cyclodextrin Cavity ◽  
Adjacent Molecule ◽  
Secondary Side

Mono-6-deoxy-6-adamantylamide-β-cyclodextrin–dimethylformamide–15H2O, C53H85NO35·C3H7NO·15H2O, crystallizes in the orthorhombic space group P212121. The adamantyl group is inserted into the cyclodextrin cavity of the adjacent molecule, entering by the side of the secondary hydroxy rim, thus forming a supramolecular linear polymer by self-assembly. Adjacent macrocycles are linked into columns by hydrogen bonds involving the nearest glucose residues, and the structure is further stabilized by their involvement in hydrogen bonding with water molecules which reside in channels surrounding the polymer columns, thus acting as bridges between the cyclodextrin units. The centroid of the adamantyl group lies below the plane formed by the seven glycosidic O atoms of the host cyclodextrin, excluding water molecules from the secondary side of β-cyclodextrin (β-CD). Between the adamantyl group and the primary hydroxy rim of the cyclodextrin cavity lies a dimethylformamide molecule, which shields the hydrophobic adamantyl group from the primary hydroxy rim of its carrying β-CD and excludes water molecules from the primary side of the β-CD cavity.

scholarly journals Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
P. Jaikumar ◽  
T. V. Sundar ◽  
N. Sharmila ◽  
T. Balakrishnan ◽  
K. Ramamurthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Tartaric Acid ◽  
Asymmetric Unit ◽  
Acid Anion ◽  
Π Interactions ◽  
Crystal Stability ◽  
Bonding Patterns

The asymmetric unit of the title cystosinium salt derivative, 2C4H6N3O+·C4H4O6 2−·H2O, contains two cytosinium cations, one tartaric acid anion and a water molecule. The two cytosinium cations are almost planar (r.m.s. deviations of the fitted atoms are 0.0151 and 0.0213 Å). The crystal structure features C—H...O, N—H...O and O—H...O interactions. Further C—O...π and π–π interactions are observed along the ab plane, contributing to the crystal stability.

scholarly journals Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate

2017 ◽  
Vol 73 (3) ◽  
pp. 361-364 ◽  
Author(s):  
Marimuthu Mohana ◽  
Packianathan Thomas Muthiah ◽  
Colin D. McMillen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Sheet Structure ◽  
Bonding Patterns

In the crystal structure of the title compound, 5-fluorocytosinium picrate, C4H5FN3O+·C6H2N3O7−, one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA−) anion. In the crystal, the 5FC+cation interacts with the PA−anion through three-centre N—H...O hydrogen bonds, forming two conjoined rings havingR21(6) andR12(6) motifs, and is extended by N—H...O hydrogen bonds and C—H...O interactions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F...π interactions.

The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C–H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran

RSC Advances ◽  
2015 ◽  
Vol 5 (87) ◽  
pp. 70899-70903 ◽  
Author(s):  
Showkat Rashid ◽  
Bilal A. Bhat ◽  
Saikat Sen ◽  
Goverdhan Mehta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Comparative Analysis ◽  
Crystal Structures ◽  
Significant Role ◽  
Self Assembly

A comparative analysis of the crystal structures of three structurally related molecular stairs has identified a rare C–H⋯O H-bonding motif and revealed the significant role played by the peripheral THF moieties in their modes of self-assembly.

scholarly journals Crystal Structure Determination and Hydrogen-Bonding Patterns in 2-Pyridinecarboxamide

2012 ◽  
Vol 01 (03) ◽  
pp. 30-34 ◽  
Author(s):  
Gerzon E. Delgado ◽  
Asiloé J. Mora ◽  
Marilia Guillén-Guillén ◽  
Jeans W. Ramírez ◽  
Jines E. Contreras
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Bonding Patterns

Functionalized 1,1-Ethene Dithiolates as Ligands, V [1]. Synthesis and Crystal Structure of Palladium(II) and Platinum(II) Complexes with Dithioylidene Barbituric Acid Ligands. Molecular Structure of a 2,6-Diaminopyridine-Platinum(II) Barbiturate Complex

1998 ◽  
Vol 53 (10) ◽  
pp. 1135-1143 ◽  
Author(s):  
Wolfgang Weigand ◽  
Veronika Plener ◽  
Heinrich Nöth ◽  
Ingo Krossing ◽  
Jörg Knizek ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structural Analysis ◽  
Self Assembly ◽  
Barbituric Acid ◽  
Supramolecular Complex ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Multiple Hydrogen Bonding

AbstractThe 1,1-ethene dithiolato ligands (dithioylidene barbituric acids) 2a-f react with palladium(II) and platinum(II) compounds L2MCI2 [M = Pd, Pt; L = PEt3, PBu3, PPh3, 1/2 dppe, 1/2 (-)-DIOP, 1/2 2,9-dimethyl phenanthroline] to give the 1,1-ethene dithiolato metal complexes . Compound 4a forms a 1:1 adduct (8) with 2,6-diaminopyridine. The compounds were characterised on the basis of their IR and NMR (1H, 13C, 31P) spectra. Complexes 4a, 4c, and 5a were further studied by X-ray structural analysis. The barbituric unit in 4a undergoes self-assembly through multiple hydrogen-bonding with complementary 2 ,6-diaminopyridine yielding the supramolecular complex 8

Sign in / Sign up

Export Citation Format

Share Document