The crystal structures of the ligand -(quinolin-8-yl)pyrazine-2-carboxamide and of a tetra-nuclear copper(II) complex.

Acta Crystallogr E Crystallogr Commun

Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.

Published: June 2019

The title tridentate ligand, CHNO, -(quinolin-8-yl)pyrazine-2-carboxamide (), crystallizes with three independent mol-ecules (, and ) in the asymmetric unit. All three mol-ecules are relatively planar (r.m.s. deviations are 0.068, 0.055 and 0.06 Å, respectively), with the NH H atom forming three-centered (bifurcated) intra-molecular N-H⋯N hydrogen bonds in each mol-ecule. There is also an intra-molecular C-H⋯O contact present in each mol-ecule, involving the benzene ring of the quinoline unit and the amide carboxamide O atom. In the crystal, the three mol-ecules stack in columns with the various mol-ecules being linked by offset π-π inter-actions [inter-centroid distances vary from 3.367 (5) to 3.589 (5) Å], forming layers parallel to the plane. The title complex, [Cu(CHNO)]·2CHOH, {hexa-μ-acetato-1:2κ :';2:3κ :';3:4κ :'-di-methanol-1κ,2κ-bis-[-(quinolin-8-yl)pyrazine-2-carboxamide]-1κ ,','';4κ ,',''-tetra-copper(II) methanol disolvate} (), was obtained by the reaction of with Cu(CHCO). It consists of a tetra-nuclear complex with a central tetra-kis-(μ-acetato)-dicopper paddle-wheel moiety linked on either side bridging acetato ions to a mononuclear copper(II)-() complex; it crystallizes as a methanol disolvate. The complex possesses inversion symmetry, being located about a center of symmetry situated at the mid-point of the Cu⋯Cu bond of the paddle-wheel moiety. In the crystal, the complex mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along the [01] direction, which are linked by offset π-π inter-actions [inter-centroid distance = 3.7367 (11) Å] and C-H⋯O hydrogen bonds, leading to the formation of a supra-molecular framework.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658947PMC
http://dx.doi.org/10.1107/S2056989019005450DOI Listing

Publication Analysis

Top Keywords

hydrogen bonds
12
three mol-ecules
8
mol-ecules linked
8
linked offset
8
offset π-π
8
π-π inter-actions
8
inter-actions [inter-centroid
8
paddle-wheel moiety
8
complex
6
mol-ecules
5

Similar Publications

Binding of Homeodomain Proteins to DNA with Hoogsteen Base Pair.

J Phys Chem B

January 2025

Department of Physics of Complex Systems, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700106, India.

In DNA double helices, Hoogsteen (HG) base pairing is an alternative mode of Watson-Crick (WC) base pairing. HG bp has a different hydrogen bonding pattern than WC bp. We investigate here the binding energy of homeodomain proteins with a HG-DNA duplex, where DNA adopts a HG bp in its sequence.

View Article and Find Full Text PDF

A small but growing set of radical SAM (-adenosyl-l-methionine) enzymes catalyze the radical mediated dehydration or dehydrogenation of 1,2-diol substrates. In some cases, these activities can be interchanged via minor structural perturbations to the reacting components raising questions regarding the relative importance of hyperconjugation, proton circulation and leaving group stability in determining the reaction outcome. The present work describes trapping and electron paramagnetic resonance (EPR) characterization of an α-hydroxyalkyl radical intermediate during dehydration and dehydrogenation of cytosylglucuronic acid and its derivatives catalyzed by the radical SAM enzyme BlsE and its Glu189Ala mutant from the blasticidin S biosynthetic pathway.

View Article and Find Full Text PDF

: The co-formulation of active pharmaceutical ingredients (APIs) is a growing strategy in biopharmaceutical development, particularly when it comes to improving solubility and bioavailability. This study explores a co-precipitation method to prepare co-formulated crystals of griseofulvin (GF) and dexamethasone (DXM), utilizing nanostructured, functionalized polylactic glycolic acid (PLGA) as a solubility enhancer. : An antisolvent precipitation technique was employed to incorporate PLGA at a 3% concentration into the co-formulated GF and DXM, referred to as DXM-GF-PLGA.

View Article and Find Full Text PDF

A Systematic Study of the Structural Properties of Technical Lignins.

Polymers (Basel)

January 2025

Postgraduate Program in Engineering of Processes and Technologies (PGEPROTEC), University of Caxias do Sul (UCS), Caxias do Sul 95070-560, Brazil.

Technical lignins are globally available and a sustainable feedstock. The unique properties of technical lignins suggest that these materials should have several industrial applications. The main proposal of this study is to evaluate the relationship between the structure and properties of two technical lignins.

View Article and Find Full Text PDF

Nanofibrous dressing materials with an antitumor function can potentially inhibit recurrence of melanoma following the surgical excision of skin tumors. In this study, hydrolyzed polyacrylonitrile (hPAN) nanofibers biofunctionalized with L-carnosine (CAR) and loaded with bio (CAR)-synthesized zinc oxide (ZnO) nanoparticles, ZnO/CAR-hPAN (hereafter called ZCPAN), were employed to develop an antimelanoma wound dressing. Inspired by the formulation of the commercial wound healing Zn-CAR complex, i.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!