Search Results - "hirshfeld surface"

In the title compound, C14H9FN2O, the dihedral angle between the imidazo–pyridine fused ring system and the pendant fluorophenyl ring is 53.77 (4)°. In the crystal, C—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal str...

Full description

Imidazoles are a widely studied class of heterocyclic compounds with significant biological and pharmacological relevance, including applications as fungicides, herbicides, and therapeutic agents. The title compound, C8H12ClN3O3 (I), is a structural analogue and impurity of the anti-protozoal drug m...

Full description

In the title compound, [Pt(C14H14N3)Cl(C9H9N)], the platinum atom has a square-planar geometry. In the crystal, dimers with R22(8) motifs are formed by pairs of N—H...N hydrogen bonds. They are connected to each other through pairs of weak C—H...Cl interactions, forming a R22(16) motif, creating par...

Full description

In the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C—H...O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C—H...π and π–π interactions [centroid-to-centroid distance = 3.6155 (8) Å] between the furan rings...

Full description

The coordination complex [Zn(C7H4NS2)2(C12H8N2)] or [Zn(MBT)2(phen)], was synthesized using ethanol solutions of Zn(CH3COO)2·2H2O, 1,10-phenanthroline (phen) and 2-mercaptobenzothiazole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographi...

Full description

The title compound, C19H15NO, contains a pyrene ring system, consisting of four fused benzene rings arranged in a planar configuration. In the crystal, intermolecular O—H...N hydrogen bonds link the molecules into infinite chains along the c-axis direction. π–π stacking interactions between the benz...

Full description

Representatives of the hexasubstituted benzene derivatives, also known as hexa-hosts, have been the subject of extensive studies in solution and in the solid state, including the investigation of their ability to act as artificial receptors for various substrates, as well as detailed conformational...

Full description

The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group P21/c and features non-classical intermolecular C—H...N hydroge...

Full description

The title compound, i.e., <i>(Z)</i>-4-(azulen-1-ylmethylene)-2-phenyloxazol-5(4<i>H</i>)-one (<b>3</b>), has previously been synthesized in a good yield (56%) using the Erlenmeyer–Plöchl procedure. The crystal structure of <b>3</b> is described herein...

Full description

In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal...

Full description

The title compound, C15H19N5OS, crystallizes in the monoclinic crystal system, space group P21/c. The molecule adopts a non-planar geometry. A significant feature of the structure is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, molecules are linked th...

Full description

This study presents the synthesis, physicochemical characterization, and biological evaluation of a novel ternary nickel(II) complex with isoleucine and 1,10-phenanthroline ligands, [Ni(Phen)(Ile)₂]∙6H₂O, designed as a potential antitumor agent. Single-c...

Full description

The synthesized compound, 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethylcyclohexanone (3) was characterized through NMR spectroscopy and single-crystal X-ray diffraction analysis. The X-ray studies reveals that compound (3) is crystallized in a monoclinic lattice system with the space group:P21/c....

Full description