A first coordination compound of 2-amino-benzoxazole (), namely, bis-(2-amino-benzoxazole-κ )bis-(acetato-κ ,')cadmium(II), [Cd(CHCOO)()], has been synthesized from ethanol solutions of Cd(CH(COO) and . In the monoclinic crystals with the space group 2/, the cadmium ions coordinate two neutral mol-ecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substanti-ally distorted octa-hedral. There are two relatively strong intra-molecular hydrogen bonds in the complex mol-ecule. Additionally, two inter-molecular hydrogen bonds associate complex mol-ecules into columns running in the [10] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the inter-molecular inter-actions are from H⋯H contacts, 24.7% are from O⋯H/H⋯O contacts and 18.8% are from C⋯H/H⋯C contacts, while other contributions are from N⋯H/H⋯N and O⋯O contacts.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483566PMC
http://dx.doi.org/10.1107/S2056989023007399DOI Listing

Publication Analysis

Top Keywords

hirshfeld surface
8
surface analysis
8
coordination compound
8
hydrogen bonds
8
synthesis structure
4
structure hirshfeld
4
analysis coordination
4
compound cadmium
4
cadmium acetate
4
acetate 2-amino-benzoxazole
4

Similar Publications

The primary goal of the current work was to construct pH-sensitive nano and microcomposite hydrogel beads based on alginate (AL), carboxymethyl cellulose (CMC), biochar (BC), and two Moroccan clays: Ghassoul (swelling SW) and red (not swelling NSW) nano and microhybrid. The adsorbents, SW + AL, SW + AL + BC, SW + AL + CMC, NSW + AL, NSW + AL + BC, NSW + AL + CMC, AL, and AL + CMC were prepared for the adsorption of the antibiotic sulfadiazine (SDZ). The test samples were characterized using a variety of techniques, including X-Ray Diffraction (XRD), IR spectroscopy (FT-IR), and scanning electron microscopy (SEM), with the molecular structures of the studied additives geometrically optimized using the DFT/B3LYP method and the function 6-311G(d).

View Article and Find Full Text PDF

The cocrystal (or supramolecular complex) between the Cu(II) complex of salicylic acid and uncoordinated piracetam has been synthesized. Its structure is characterized by elemental analysis, FT-IR, UV-Vis spectroscopy, and X-ray crystallography. Spectroscopic methods confirm the formation of the metal complex, while X-ray crystallography establishes the molecular and crystal structure of the obtained compound.

View Article and Find Full Text PDF

In the title compound, CHFO, a central -hybridized carbon atom is decorated with three hepta-fluoro-2-meth-yloxy(cyclo-pent-1-ene) arms and a methyl group. The primary packing is determined by C-F⋯F-C inter-actions, forming [001] chains, which are consolidated weaker C-F⋯F-C and C-H⋯F-C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F inter-actions (53.

View Article and Find Full Text PDF

The title compound is a germanium-based hybrid metal halide that represents a less-toxic alternative to more popular lead-based analogues in optoelectronic applications. {(2-ICHNH)[GeI]} is composed of infinite inorganic layers that are formed by [GeI] octa-hedra connected in a corner-sharing manner with four equatorial I atoms. The organic (2-ICHNH) cations inter-leave the inorganic layers.

View Article and Find Full Text PDF

The title compound, [Cu(CHO)(CHN)], crystallizes in the ortho-rhom-bic space group . In the crystal structure, the Cu ion is coordinated by two acetyl-acetonate ligands and one 2-amino-1-methyl-1-benzimidazole ligand. The crystal structure features intra-molecular N-H⋯O and inter-molecular N-H⋯O hydrogen bonds, which contribute to the overall cohesion of the crystal.

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!