Crystal structure of bis(3,5-dichloro-2-hydroxybenzyl)(2-methoxyethyl)amine
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ABSTRACT:
SUBMITTER: Wile B
PROVIDER: S-EPMC10483550 | biostudies-literature | 2023 Aug
REPOSITORIES: biostudies-literature
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Project description:In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of inter-molecular N-H⋯N hydrogen bonds connect two mol-ecules, forming inversion dimers with R2(2)(12) motifs. C-H⋯π inter-actions links the dimers into a chain running along the a-axis direction. There are also π-π stacking inter-actions [centroid-centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.
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Project description:The title complex, [PtCl(C14H23N5)]Cl·2H2O, is isomorphous with the Pd(II) compound characterized previously [Mendoza, Bernès & Mendoza-Díaz (2006 ▶). Acta Cryst. E62, m2934-m2936]. The angle between pyrazole mean planes in the main ligand is 88.3 (4)°, similar to that observed in the Pd(II) analogue [87.62 (11)°]. This tridentate ligand adopts a conformation approximating a twofold symmetry, allowing its coordination to the metal atom, together with a chloride ligand, in an almost perfect square-planar geometry. A chloride anion and two water mol-ecules in the asymmetric unit form a hydrogen-bonded network connected to the complex mol-ecules in the crystal via the NH amine groups, forming chains along [100].
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Project description:The mol-ecule of the title Schiff base compound, C(16)H(12)Cl(4)N(2), lies across an inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The imine groups are coplanar with the aromatic rings. Within the mol-ecule, the planar units are parallel but extend in opposite directions from the dimethyl-ene bridge. In the crystal structure, mol-ecules are linked together by inter-molecular C-H⋯Cl hydrogen bonds along the a axis.
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Project description:The title compound, C14H6F4O2, crystallizes with half of a mol-ecule per asymmetric unit and exhibits bond lengths and angles typical of α-diketones. A network of C-H⋯F contacts and π-π stacking inter-actions is observed within the structure.
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Project description:In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra-hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(-) ligands. In (Ia), double N(1):N(2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N(1)-coordination modes. Weak N-H⋯N, N-H⋯S and C-H⋯S hydrogen bonds play an important role in the inter-molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57 (3):0.43 (3) and 0.63 (3):0.37 (3), respectively.
| S-EPMC3212172 | biostudies-literature
Project description:In the centrosymmetric dinuclear compound, [Co(2)Cl(4)(C(4)H(8)N(4))(2)], the Co(II) atom is coordinated by N atoms from two 3,5-dimethyl-1,2,4-triazol-4-amine ligands and two Cl atoms in a distorted tetra-hedral geometry. A six-membered ring is formed by four N atoms from two ligands and the two Co(II) centers; the Co⋯Co distance is 3.756 (9) Å.
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Project description:AimTo investigate the anti-arrhythmic effects of sulfamide analogues of changrolin and to characterize the sulfate of compound 6f (sulcardine sulfate, Sul) as a novel anti-arrhythmic agent.MethodsThe anti-arrhythmic effects of compounds were studied against aconitine-induced arrhythmias in rats and ouabain-induced arrhythmias in guinea pigs. The effects of Sul on transmembrane action potentials were investigated in isolated rabbit sinoatrial nodes and guinea-pig papillary muscles using intracellular recording. With a whole-cell recording technique, the effects of Sul on sodium current, calcium current, and potassium currents were examined in isolated single guinea-pig ventricular myocytes.ResultsIn aconitine-induced arrhythmias of rats, sulfamide analogues of changrolin (4, 5, and 6a-6p) exhibited various anti-arrhythmic activities. The sulfate of compound 6f (Sul) increased the amount of aconitine required to induce arrhythmias in each treated animal. The ED₅₀ value of Sul in rats was 196 mg/kg. In ouabain-induced arrhythmias of guinea pigs, 25, 50, and 100 mg/kg doses of Sul increased the dose of ouabain required to induce VP, VT, and VF in a dose-dependent manner. In papillary preparations, Sul produced a concentration-dependent decrease in APA and V(max), prolonged APD(90) and ERP, whereas RP was unaffected. In the spontaneously beating sinus nodes, Sul reduced APA and V(max) in a concentration-dependent manner. The whole-cell recording studies revealed that Sul produced a reversible reduction in I(Na) (IC₅₀=26.9 μmol/L) and I(Ca,L)(IC₅₀=69.2 μmol/L), whereas the inward rectifier (I(K1)) and the delayed rectifier potassium currents (I(K)) were unaffected.ConclusionAs a multi-ion channel blocker, Sul may have potent efficacy in anti-atrial and ventricular arrhythmias.
| S-EPMC4003109 | biostudies-literature
Project description:The title compound (systematic name3,5-dichloro-2-hydroxy-benzaldehyde), C(7)H(4)Cl(2)O(2), crystallizes as discrete mol-ecules, the conformation of which may be influenced by an intra-molecular hydr-oxy-carbonyl O-H⋯O hydrogen bond.
| S-EPMC2961183 | biostudies-literature
Project description:The title compound, C(16)H(16)N(4)O(2), crystallizes with two mol-ecules in the asymmetric unit, which are related by a non-crystallographic centre of inversion. The phenyl-ene rings are twisted out of the mean plane of the triazole ring by 19.3 (1) and 21.4 (1)° for one independent mol-ecule and by 16.3 (1) and 18.1 (1)° for the other mol-ecule. In the crystal, adjacent mol-ecules are linked by amine-triazole N-H⋯N hydrogen bonds, forming chains running along the a axis.
| S-EPMC3008083 | biostudies-literature