Crystal structure of bis-(2-{[(3-bromo-prop-yl)imino]-meth-yl}phenolato-κ(2) N,O)copper(II).

Acta Crystallogr E Crystallogr Commun

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 , Algeria.

Published: February 2015

In the title compound, [Cu(C10H11BrNO)2], the asymmetric unit consists of one-half of the mol-ecule, the other half being generated by an inversion centre. Hence the Cu(II) cation is symmetrically coordinated by two bidentate Schiff base anions in a slightly distorted square-planar environment with Cu-O and Cu-N bond lengths of 1.8786 (19) and 2.009 (2) Å, respectively. In the crystal, individual mol-ecules are packed in alternating zigzag layers parallel to (001). Weak C-H⋯π inter-actions exist between the mol-ecules.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384597PMC
http://dx.doi.org/10.1107/S2056989015001309DOI Listing

Publication Analysis

Top Keywords

crystal structure
4
structure bis-2-{[3-bromo-prop-ylimino]-meth-yl}phenolato-κ2
4
bis-2-{[3-bromo-prop-ylimino]-meth-yl}phenolato-κ2 nocopperii
4
nocopperii title
4
title compound
4
compound [cuc10h11brno2]
4
[cuc10h11brno2] asymmetric
4
asymmetric unit
4
unit consists
4
consists one-half
4

Similar Publications

Enhanced mechanical properties of alkali-activated dolomite dust emulsified asphalt composites.

Sci Rep

December 2024

School of Civil Engineering, Architecture and Environment, Hubei University of Technology, Wuhan, China.

The dolomite dust-emulsified asphalt composite (DAC) with excellent mechanical properties was successfully prepared using alkali activation. The effects of different alkali concentrations and emulsified asphalt contents on the mechanical properties of the materials were studied. And the micro-mechanisms of its mechanical performance changes were analyzed through SEM and XRD characterization.

View Article and Find Full Text PDF

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new materials from ab initio calculations. In this work, an effective and robust deep learning-based model is proposed by incorporating persistent homology with graph neural network which offers an accuracy of and an F1 score of in classifying topological versus non-topological materials, outperforming the other state-of-the-art classifier models.

View Article and Find Full Text PDF

Clustering Cu-S based compounds using periodic table representation and compositional Wasserstein distance.

Sci Rep

December 2024

Key Laboratory of Computing Power Network and Information Security, Shandong Computer Science Center (National Supercomputing Center in Jinan), Ministry of Education, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250013, Shandong, P. R. China.

Crystal structure similarity is useful for the chemical analysis of nowadays big materials databases and data mining new materials. Here we propose to use two-dimensional Wasserstein distance (earth mover's distance) to measure the compositional similarity between different compounds, based on the periodic table representation of compositions. To demonstrate the effectiveness of our approach, 1586 Cu-S based compounds are taken from the inorganic crystal structure database (ICSD) to form a validation dataset.

View Article and Find Full Text PDF

The general control non-repressible 5 (GCN5)-related N-acetyltransferase (GNAT) SbzI, in the biosynthesis of the sulfonamide antibiotic altemicidin, catalyzes the transfer of the 2-sulfamoylacetyl (2-SA) moiety onto 6-azatetrahydroindane dinucleotide. While most GNAT superfamily utilize acyl-coenzyme A (acyl-CoA) as substrates, SbzI recognizes a carrier-protein (CP)-tethered 2-SA substrate. Moreover, SbzI is the only naturally occurring enzyme that catalyzes the direct incorporation of sulfonamide, a valuable pharmacophore in medicinal chemistry.

View Article and Find Full Text PDF

Crystal symmetry, which governs the local atomic coordination and bonding environment, is one of the paramount constituents that intrinsically dictate materials' functionalities. However, engineering crystal symmetry is not straightforward due to the isotropically strong covalent/ionic bonds in crystals. Layered two-dimensional materials offer an ideal platform for crystal engineering because of the ease of interlayer symmetry operations.

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!