Solid state self-assembly and morphology of a rigid non-coded γ-amino acid inserted tripeptide

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Arpita Dutta ◽  
Suven Das ◽  
Purak Das ◽  
Suvendu Maity ◽  
Prasanta Ghosh
Keyword(s):  
Amino Acid ◽  
Solid State ◽  
Self Assembly ◽  
Intermolecular Hydrogen Bonding ◽  
Aminobenzoic Acid ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction

Abstract A tripeptide Boc-L-Pro-m-ABA-Aib-OMe was synthesized where meta-aminobenzoic acid (m-ABA), a rigid non-coded γ-amino acid is placed as middle residue. Single crystal X-ray diffraction study indicates that the peptide self-assembles into helical motif through intermolecular hydrogen bonding interaction N–H···O, C–H···O, π···π interaction and van der Waals interaction. HR-TEM image reveals the formation of fibril in the solid state.

Molecular Cocrystals of Carboxylic Acids. XXVI Adducts of the Amino-Substituted Benzoic Acids with Nitroaromatic Lewis Bases: the Influence of Associative Polyfunctional Substituents on Self-Assembly of Molecules in Cocrystallization Processes

1997 ◽  
Vol 50 (10) ◽  
pp. 977 ◽  
Author(s):  
Daniel E. Lynch ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Self Assembly ◽  
Benzoic Acids ◽  
Aminobenzoic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lewis Bases ◽  
Aminobenzoic Acids ◽  
Substituted Benzoic Acids

A series of molecular adducts of the isomeric aminobenzoic acids with the nitro-substituted Lewis bases 2-chloro-5-nitropyridine, 5-nitroquinoline and 5-nitroisoquinoline has been prepared and characterized by using infrared spectroscopy and X-ray powder diffraction, and in four cases by single-crystal X-ray diffraction methods. These four compounds are the adducts of 3-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)(C9H6N2O2)], 4-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)2(C9H6N2O2)], 2-aminobenzoic acid with 5-nitroisoquinoline [(C7H7NO2)(C9H6N2O2)] and 4-aminobenzoic acid with 5-nitroisoquinoline [(C7H7N2O2)(C9H6N2O2)]. Other compounds described are the (1 : 1) adducts of 4-aminobenzoic acid with 2-chloro-5-nitropyridine, and 2-aminobenzoic acid with 5-nitroquinoline. All adducts involve hydrogen-bonding network associations while in none of the examples is any proton transfer involved.

scholarly journals Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime

2018 ◽  
Vol 74 (3) ◽  
pp. 332-336
Author(s):  
Jamal Lasri ◽  
Katherine Chulvi ◽  
Naser Eltaher Eltayeb
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Hydroxylamine Hydrochloride ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Bonding Interaction ◽  
Polymeric Chains

The aldoximes C11H9NO (I) and C15H11NO (II), synthesized inca90% yield, by treatment of 1-naphthaldehyde or phenanthrene-9-carbaldehyde, respectively, with hydroxylamine hydrochloride and sodium carbonate, have been characterized by IR,1H,13C and DEPT-135 NMR spectroscopies, and also by single-crystal X-ray diffraction analysis. The molecules of (I) and (II) are conformationally similar, with the aldoxime substituent groups lying outside the planes of the naphthalene or phenanthrene rings, forming dihedral angles with them of 23.9 (4) and 27.9 (6)°, respectively. The crystal structures of both (I) and (II) are similar with a single intermolecular O—H...N hydrogen-bonding interaction, giving rise to the formation of one-dimensional polymeric chains extending along the 21(b) screw axes in each.

Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole ligand: syntheses, structures and properties

2017 ◽  
Vol 73 (4) ◽  
pp. 314-318 ◽  
Author(s):  
Xu Wei ◽  
Jian-Hua Li ◽  
Qiu-Ying Huang ◽  
Xiang-Ru Meng
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Ir Spectra ◽  
Self Assembly ◽  
Three Dimensional ◽  
The Self ◽  
X Ray Diffraction ◽  
X Ray ◽  
Heterocyclic Ligand ◽  
Structures And Properties

The unsymmetrical N-heterocyclic ligand 1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole (bmi) has three potential N-atom donors and can act in monodentate or bridging coordination modes in the construction of complexes. In addition, the bmi ligand can adopt different coordination conformations, resulting in complexes with different structures due to the presence of the flexible methylene spacer. Two new complexes, namely bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole-κN3}dibromidomercury(II), [HgBr2(C10H9N5)2], and bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole-κN3}diiodidomercury(II), [HgI2(C10H9N5)2], have been synthesized through the self-assembly of bmi with HgBr2or HgI2. Single-crystal X-ray diffraction shows that both complexes are mononuclear structures, in which the bmi ligands coordinate to the HgIIions in monodentate modes. In the solid state, both complexes display three-dimensional networks formed by a combination of hydrogen bonds and π–π interactions. The IR spectra and PXRD patterns of both complexes have also been recorded.

Fibril formation through self-assembly of a simple glycine derivative and X-ray diffraction study

2020 ◽  
Vol 235 (1-2) ◽  
pp. 47-51
Author(s):  
Arpita Dutta ◽  
Suven Das ◽  
Purak Das ◽  
Suvendu Maity ◽  
Prasanta Ghosh
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
High Resolution ◽  
Diffraction Study ◽  
Self Assembly ◽  
Van Der Waals Interactions ◽  
Base Catalyst ◽  
X Ray Diffraction ◽  
X Ray ◽  
Sheet Structure

AbstractN-(N-benzoyl glycinyl)-N,N′-dicyclohexylurea was synthesised by conjugating N-benzoyl glycine and dicyclohexylcarbodiimide (DCC) using triethylamine as base catalyst. A single crystal X-ray diffraction study reveals that the compound self-assembles into a supramolecular sheet structure by intermolecular N–H · · · O, C–H · · · O hydrogen bonding and non-bonding van der Waals interactions. A high resolution transmission electronic microscopic (HR-TEM) image of the compound exhibits formation of fibrils in the solid state.

Symmetry breaking in the solid state of 9,10-anthracene amino acid conjugates as seen by X-ray diffraction and NMR spectroscopy

2020 ◽  
Vol 1221 ◽  
pp. 128834
Author(s):  
Berislav Perić ◽  
Gábor Szalontai ◽  
Mladen Borovina ◽  
Dražen Vikić-Topić ◽  
Srećko I. Kirin
Keyword(s):  
Amino Acid ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Symmetry Breaking ◽  
X Ray Diffraction ◽  
Amino Acid Conjugates ◽  
X Ray

Study on a Novel Structure of C21H9Ba2SrN3O12

2013 ◽  
Vol 834-836 ◽  
pp. 494-499
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Xiao Ping Zhang ◽  
Quan Hua Fan ◽  
Lin Tong Wang ◽  
...  
Keyword(s):  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Compound C ◽  
Novel Structure ◽  
Bonding Interaction

In the title compound, C21H9Ba2N3O12Sr, is prepared from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The compound crystallize in Monoclinic, system with space group and cell parameters, C2/c, a=22.668 Å, b=10.937 Å, c=9.05 Å, α=γ=90°, β=90.582°, V=2243.6 Å3. The crystal packing is stabilized by O-H...O and O-H...N hydrogen bonding interaction.

scholarly journals The Silicides YT2Si2 (T =Co, Ni, Cu, Ru, Rh, Pd): A Systematic Study by 89Y Solid-state NMR Spectroscopy

2014 ◽  
Vol 69 (3) ◽  
pp. 305-312 ◽  
Author(s):  
Christoph Höting ◽  
Hellmut Eckert ◽  
Samir F. Matar ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Bonding Interaction ◽  
Fermi Edge ◽  
Extra Electron ◽  
Knight Shifts ◽  
Structure Calculations

The ThCr2Si2-type silicides YT2Si2 (T =Co, Ni, Cu, Ru, Rh, Pd) were synthesized from the elements by arc-melting. They were characterized by powder X-ray diffraction, and the structures were refined on the basis of single-crystal X-ray diffractometer data. The course of the lattice parameters shows a distinct anomaly for YRu2Si2 which has by far the smallest c/a ratio along with elongated Y- Si distances. Systematic 89Y solid-state NMR spectra show large Knight shifts arising from unpaired conduction electron spin density near the Fermi edge. The Knight shift decreases with increasing valence electron count (VEC), reflecting the sensitivity of this parameter to electronic properties. The particularly strong structural distortion observed in YRu2Si2 manifests itself in a sizeable magnetic shielding anisotropy. Electronic structure calculations for YRu2Si2 and YRh2Si2 reveal similar projected density of states (PDOS) shapes with an energy upshift of the Fermi level in YRh2Si2 due to the extra electron brought in by Rh. As a consequence, the PDOS at the Fermi energy is twice as large in the Ru compound as in the Rh compound. While both compounds show the major bonding interaction within the T2Si2 layers, YRh2Si2 exhibits significantly stronger Y-Si bonding

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