28 research outputs found
Chlorido(1-cyclopentylidene-4-ethylthiosemicarbazidato-κ2 N 1,S)diphenyltin(IV)
The Sn atom in the title compound, [Sn(C6H5)2(C8H14N3S)Cl], is pentacoordinated with a trigonal-bipyramidal coordination geometry. The 1-cyclopentylidene-4-ethylthiosemicarbazidate (cpetsc) ligand coordinates through the S atom and the N atom bonds to the cyclopentyl group, forming a five-membered ring with the Sn center. The chloride ligand and the coordinated N atom are in axial positions. In the crystal structure, intermolecular N—H⋯Cl hydrogen bonds form chains along [101]
Iodidotris(triphenylphosphine)copper(I) acetonitrile solvate
The title compound, [CuI(C18H15P)3]·C2H3N, was obtained from the reaction of triphenylphosphine and copper(I) iodide in acetonitrile. The monomeric form of the complex has slightly distorted coordination of Cu by the I atom and three P atoms. The crystal structure is stabilized by C—H⋯π interactions between phenyl H atoms and phenyl rings. In addition, the complex molecules exhibit C—H⋯N hydrogen bonds between phenyl H atoms and acetonitrile N atoms. The crystal used was an inversion twin, with nearly equal component populations of 0.522 (8) and 0.478 (8)
{4-Phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazidato}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide}nickel(II) chloride monohydrate
In the title compound, [Ni(C12H11N4S2)(C12H12N4S2)]Cl·H2O, the NiII ion is chelated by two 2-acetylthiazole-3-phenylthiosemicarbazone ligands, forming a distorted octahedral complex. The metal ion is coordinated via the thiazole nitrogen, imine nitrogen and thione sulfur atoms from each thiosemicarbazone ligand, and two coordinating units lie almost perpendicular to each other give dihedral angle = 81.89 (1)°]. One thiosemicarbazone unit is found to bind a chloride anion through two hydrogen bonds, while the other is linked with the disordered crystal water molecule. Two molecules are connected to each other through an intermolecular N—H⋯S interaction, forming a centrosymmetric dimer. Dimers are linked into sheets by π–π stacking of two phenyl rings [shortest C⋯C distance = 4.041 (3) Å]
1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-benzimidazol-2(3H)-one
The molecular structure of the title compound, C17H20N4O5, contains a central fused-ring system, comprised of six- and five-membered rings. This unit is linked by C2 chains to two 2-oxo-1,3-oxazolidine five-membered rings. The central fused-ring system is essentially planar, with a maximum deviation of 0.008 (1) Å from the mean plane. Both oxazolidine five-membered rings are also nearly planar, with maximum deviations of 0.090 (1) and 0.141 (1) Å
Chloridodiphenyl{[1-(1,3-thiazol-2-yl-κN)ethylidene]-4-phenylthiosemicarbazidato-κ2 N 1,S}tin(IV) methanol monosolvate
The title compound, [Sn(C6H5)2(C12H11N4S2)Cl]·CH4O, is formed during the reaction between 2-acetylthiazole 4-phenylthiosemicarbazone (Hacthptsc) and diphenyltin(IV) dichloride in methanol. In the crystal structure, the Sn atom exhibits an octahedral geometry with the [N2S] anionic tridentate thiosemicarbazone ligand having chloride trans to the central N and the two phenyl groups trans to each other. The Sn—Cl distance is 2.5929 (6), Sn—S is 2.4896 (6) and Sn—N to the central N is 2.3220 (16) Å. The MeOH molecules link the Sn complexes into one-dimensional chains via N—H⋯O and O—H⋯Cl hydrogen bonds
Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κN)ethylidene]thiosemicarbazidato-κ2 N′,S}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κS}mercury(II)
In the title compound, [Hg(C12H11N4S2)I(C12H12N4S2)], the Hg atom is in a distorted square-pyramidal coordination, defined by the iodide ligand, by the S atom of the neutral ligand in the apical position, and by the N atom of the thiazole ring, the thioureido N and the S atom of the deprotonated ligand. The deprotonated ligand intramolecularly hydrogen bonds to the thiazole ring N atom, while the deprotonated ligand forms an intermolecular hydrogen bond to the thiolate S atom. The deprotonation of the tridentate ligand and its coordination to Hg via the S atom strikingly affects the C—S bond lengths. In the free ligand, the C—S bond distance is 1.685 (7) Å, whereas it is 1.749 (7) Å in the deprotonated ligand. Similarly, the Hg—S bond distance is slightly longer to the neutral ligand [2.6682 (18) Å] than to the deprotonated ligand [2.5202 (19) Å]. The Hg—I distance is 2.7505 (8) Å
1-Nonyl-1H-benzimidazol-2(3H)-one
The crystal structure of the title compound, C16H24N2O, is built up from two fused six- and five-membered rings linked to C9H19 chains. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2) Å. The chain is nearly perpendicular to this plane [dihedral angle = 80.27 (17)°]. In the crystal, intermolecular N—H⋯O hydrogen bonds form dimers with an R
2
2(8) graph-set motif. These dimers are further connected through C—H⋯O hydrogen bonds, building sheets parallel to (100)
3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridine
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C22H17BrN6. The dihedral angles between the imidazo[4,5-b]pyridine mean plane and the phenyl rings are 20.4 (2) and 24.0 (2)° in the two molecules. The orientation of triazoles compared to the imidazo[4,5-b]pyridine system is almost the same in both molecules, with dihedral angles of 64.2 (2) and 65.1 (2)°. However, the main difference between the two molecules lies in the arrangement of the phenyl groups compared to imidazo[4,5-b]pyridine in each molecule. Indeed, in the first molecule the dihedral angle between the plane of the phenyl ring and that of the imidazo[4,5-b]pyridine system is 67.7 (2)°, while in the second molecule the plane of the phenyl ring is almost perpendicular to that of the imidazo[4,5-b]pyridine system with a dihedral angle of 86.0 (2)°
Synthesis, Characterisation, and Preliminary In Vitro Studies of Vanadium(IV) Complexes with a Schiff Base and Thiosemicarbazones as Mixed Ligands
[VO(sal‐L‐tryp)(H2O)] (1, sal‐L‐tryp = N‐salicylidene‐L‐tryptophanate) was used as a precursor to produce the new complexes [VO(sal‐L‐tryp)(MeATSC)]·1.5C2H5OH [2, MeATSC = 9‐Anthraldehyde‐N(4)‐methylthiosemicarbazone], [VO(sal‐L‐tryp)(N‐ethhymethohcarbthio)]·H2O [3, N‐ethhymethohcarbthio = (E)‐N‐ethyl‐2‐(4‐hydroxy‐3‐methoxybenzylidene)hydrazinecarbothioamide] and [VO(sal‐L‐tryp)(acetylethTSC)]·C2H5OH {4, acetylethTSC = (E)‐N‐ethyl‐2‐[1‐(thiazol‐2‐yl)ethylidene]hydrazinecarbothioamide} by reaction with the respective thiosemicarbazone. The chemical and structural properties of these ligands and complexes were characterised by elemental analysis, ESI‐MS, FTIR, UV/Vis, ESR and 1H and 13C NMR spectroscopy and X‐ray crystallography. Dimethyl sulfoxide (DMSO) and [D6]DMSO solutions of 1–4 were oxidised in air to produce vanadium(V) species, which were verified by ESI‐MS and 51V NMR spectroscopy. The anticancer properties of 2–4 were examined with three colon cancer cell lines, HTC‐116, Caco‐2 and HT‐29, and noncancerous colonic myofibroblasts, CCD18‐Co. Compounds 2–3 exhibited less inhibitory effects in the CCD‐18Co cells, which indicates a possible cytotoxic selectivity towards colon cancer cells. In general, compounds that exhibit antiproliferative activity to cancer cells but do not affect noncancerous cells may have a potential in chemotherapy
Rhodamine 6G hexachloridostannate(IV) acetonitrile disolvate
In the title compound, bis({6-ethylamino-10-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene}ethanaminium) hexachloridotin(IV) acetonitrile disolvate, (C27H29N2O3)2[SnCl6]·2C2H3N, the octahedral SnCl62− anion lies on an inversion center. The xanthene ring system is essentially planar, with an average deviation of 0.020 Å, and the substituent benzene ring forms a dihedral angle of 85.89 (2)° with it. The Sn—Cl distances are in the range 2.4237 (3)–2.4454 (3) Å. There are N—H...Cl hydrogen bonds between SnCl62− ions and rhodamine 6G cations as well as π–π stacking interactions between rhodamine 6G cations (interplanar distance of 3.827 Å)