Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S

C6H18ClN3O7S, trigonal, P31c (no. 159), a = 8.3990(14) Å, b = 8.3990(14)∘ , c = 9.6208(17) Å, V = 587.76(17) Å3 , Z = 2, Rgt(F) = 0.0497, wRref(F2 ) = 0.1404, T = 300.15 K

4,6-Dinitro­pyrogallol

In the title mol­ecule, C6H4N2O7, the two nitro groups are tilted with respect to the aromatic ring by 11.2 (1) and 10.9 (1)°. All three hy­droxy groups are involved in the formation of bifurcated intra- and inter­molecular O—H⋯O hydrogen bonds. The crystal packing exhibits short O⋯O distances of 2.823 (2) Å between two O atoms of the nitro groups

Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate

The 2-hy­droxy­cyclo­hexane-1,3,5-triaminium (= H3 L 3+) cation of the title compound, 3C6H18N3O3+·8Cl−·HSO4 −·2H2O, exhibits a cyclo­hexane chair with three equatorial ammonium groups and one axial hy­droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol­ecules lie on or in proximity to a threefold axis and are disordered. The crystal structure features N—H⋯Cl and O—H⋯Cl hydrogen bonds. Three C 3-symmetric motifs can be identified in the structure: (i) Two chloride ions (on the C 3-axis) together with three H3 L 3+ cations constitute an [(H3 L)3Cl2]7+ cage. (ii) The lipophilic C6H6-sides of three H3 L 3+ cations, which are oriented directly towards the C 3-axis, generate a lipophilic void. The void is filled with the disordered water mol­ecules and with the disordered part of the hydrogen sulfate ion. The hydrogen atoms of these disordered moieties were not located. (iii) Three H3 L 3+ cations together with one HSO4 − and three Cl− counter-ions form an [(HSO4)(H3 L)3Cl3]5+ cage. Looking along the C 3-axis, these three motifs are arranged in the order (cage 1)⋯(lipophilic void)⋯(cage 2). The crystal studied was found to be a racemic twin

Quantitative Bestimmung von Phosphonaten in Waschmitteln

The selective determination of phosphonates in detergents with ion chromatography is disturbed by the presence of Al or other metal ions. Due to the formation of stable metal-phosphonate complexes, phosphonate is linked and thus a determination is not possible. The disturbance caused by AlIII can be eliminated by adding a competing agent to the analyte solution

fac-{2-[Bis(2-amino­eth­yl)amino]­ethanaminium}trichloridorhodium(III) chloride hemihydrate

The crystal structure of the title compound, [Rh(C6H19N4)Cl3]Cl·0.5H2O, is isotypic with the previously reported Ru analogue. The structure contains two crystallographically independent [Rh(Htren)Cl3]+ cations with a facial tridentate coordination of the monoprotonated tren ligand [tren = tris­(2-amino­eth­yl)amine], leading to an overall distorted octahedral coordination environment around the Rh(III) atom. In one of the two cations, the ethyl­ene groups of the two chelate rings as well as the non-coordinating ethyl­ammonium group are disordered over two sets of sites [0.579 (3):0.421 (3) occupancy ratio]. A series of N—H⋯Cl and O—H⋯Cl hydrogen bonds stabilizes the structure

Platinum(IV) Complexes of the 1,3,5-Triamino Analogue of the Biomolecule Cis-Inositol Designed as Innovative Antineoplastic Drug Candidates

Metal complexes occupy a special place in the field of treatment and diagnostics. Their main advantages stem from the possibility of fine-tuning their thermodynamic properties and kinetic behavior in the biological milieu by applying different approaches such as properly constructed inner coordination sphere, appropriate choice of ligands, metal oxidation state, redox potential, etc., which are specific to these compounds. Here we discuss the design and synthesis of two octahedral cationic Pt(IV) complexes of the tridentate ligand all-cis-2,4,6-triaminocyclohexane-1,3,5- triol (taci) with composition, fac-[Pt(taci)I3 ] + , 1 and bis-[Pt(taci)2 ] 4+ , 2 as well as the potential for their application as antineoplastic agents. The complexes have been isolated in a solid state as: fac-[Pt(taci)I3 ]I·3H2O (1A), fac-[Pt(taci)I3 ]I (1B), fac-[Pt(taci)I3 ]I·2DMF (1C), bis-[Pt(taci)2 ](CO3 )2 ·6H2O (2A) by changing the acidity of the reaction systems, the molar ratios of the reagents and the counterions, and by re-crystallization. The ligand taci is coordinated through the NH2 -groups, each molecule occupying three coordination places in the inner coordination sphere of Pt(IV). Monitoring of the hydrolysis processes of 1A and 2A at different acidity showed that while 2A remained stable over the study period, the I−-ions in 1A were successively substituted, with the main product under physiologically mimetic conditions being fac,cis-[Pt(taci)I(OH)2 ] + (h2). The antiproliferative tests involved eight cancer cell models, among which chemosensitive (derived from leukemias and solid tumors) and chemoresistant human Acute myeloid leukemia lines (HL-60/Dox, HL-60/CDDP), as well as the non-malignant kidney’ cells HEK-293T showed that the complexes 1A and 2A are characterized by a fundamentally different profile of chemosensitivity and spectrum of cytotoxic activity compared to cisplatin. The new Pt(IV) complexes were shown to be more effective in selectively inhibiting the proliferation of human malignant cells compared to cisplatin. Remarkable activity was recorded for 1A, which showed an effect (IC50 = 8.9 ± 2.4) at more than 16-fold lower concentration than cisplatin (IC50 = 144.4 ± 9.8) against the resistant cell line HL-60/CDDP. In parallel, 1A exhibited virtually the same cytotoxic effect against the parental HL-60 cells (IC50 = 9.0 ± 1.2), where cisplatin displays comparable chemosensitivity (IC50 = 8.3 ± 0.8). The determined resistance indices (RI~1) show unequivocally that the resistant lines are sensitive to both compounds tested; therefore, they are capable of overcoming the mechanisms of cisplatin resistance. The structural features of these compounds and their promising pharmacological properties justify their inclusion in the group of “non-classical metal-based antitumor compounds” and are a prerequisite for the admission of alternative mechanisms of action

Crystal structure and Hirshfeld surface analysis of tris(2,2′-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate

International audienceThe title compound, [Ni(C10H8N2)3](C9H5N4O)2·2H2O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O—H...N hydrogen bonds, forming chains running along the [010] direction. The bpy ligands of the cation are linked to the chain via C—H...π(cation) inter­actions involving the CH3 group. The inter­molecular inter­actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots

Poly[[(μ4-1,3,5-triamino-1,3,5-trideoxy-cis-inositol)sodium] bromide]

In the structure of the title compound, {[Na(C6H15N3O3)]Br}n, the sodium cation and the bromide anion are both located on threefold rotation axes. The sodium cation is bonded to the three hydroxy groups of one 1,3,5-triamino-1,3,5-trideoxy-cis-inositol (taci) ligand, with the taci ligand residing around the same threefold rotation axis as the sodium ion. The coordination sphere of the sodium ion is completed by three amino groups of three neighbouring taci molecules. Hence, this type of coordination constitutes a three-dimensional open framework with channels along the c axis which are filled with the bromide counter-anions. Each bromide ion forms three symmetry-related hydrogen bonds to both the hydroxy and the amino groups of neighbouring taci ligands

1,3-Diammonio-1,2,3-trideoxy-cis-inositol sulfate

In the crystal structure of the title compound, C6H16N2O32+·SO42−, each cation forms three O—H...O and five N—H...O hydrogen bonds to six neighbouring sulfate anions. In addition, interlinking of the cations by N—H...O interactions is also observed. The cyclohexane ring adopts a chair conformation with two axial hydroxy groups. Although the separation of 2.928 Å is almost ideal for a hydrogen bond, intramolecular hydrogen bonding between these two hydroxy groups is not observed