Bis{'-[3-(4-nitro-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]--phenyl-carbamimido-thio-ato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study.

The title zinc bis-(thio-semicarbazone) complex, [Zn(CHNOS)], comprises two ,-donor anions, leading to a distorted tetra-hedral NS donor set. The resultant five-membered chelate rings are nearly planar and form a dihedral angle of 73.28 (3)°.

1-{()-[4-(4-Hy-droxy-phen-yl)butan-2-yl-idene]amino}-3-phenyl-thio-urea: crystal structure, Hirshfeld surface analysis and computational study.

The title thio-urea derivative, CHNOS, adopts a U-shaped conformation with the dihedral angle between the terminal aromatic rings being 73.64 (5)°. The major twist in the mol-ecule occurs about the ethane bond with the C-C-C-C torsion angle being -78.

Synthesis, characterization and evaluation of antidengue activity of enantiomeric Schiff bases derived from S-substituted dithiocarbazate.

A series of Schiff bases have been successfully synthesized through the acid-catalyzed condensation of S-substituted dithiocarbazates and three enantiomerically pure monoterpenes, (1 )-(+)-camphor, (1 )-(-)-camphor, (1 )-(-)-camphorquinone, (1 )-(+)-camphorquinone, ( )-(-)-carvone and ( )-(+)-carvone. Spectroscopic results revealed that the Schiff bases containing camphor or carvone likely adopted an -configuration along the characteristic imine bond while those containing camphorquinone assumed a -configuration. The antidengue potential of these compounds was evaluated based on DENV 2 caused cytopathic effect (CPE) reduction-based in vitro evaluation.

Imidazole-rich copper peptides as catalysts in xenobiotic degradation.

Laccases, oxidative copper-enzymes found in fungi and bacteria were used as the basis in the design of nona- and tetrapeptides. Laccases are known to be excellent catalysts for the degradation of phenolic xenobiotic waste. However, since solvent extraction of laccases is environmentally-unfriendly and yields obtained are low, they are less preferred compared to synthetic catalysts.

2-[(1)-[()-2-({[(1)-[()-2-[(2-Hy-droxy-phen-yl)methyl-idene]hydrazin-1-yl-idene]({[(4-methyl-phen-yl)meth-yl]sulfan-yl})meth-yl]disulfan-yl}({[(4-methyl-phen-yl)meth-yl]sulfan-yl})methyl-idene)hydrazin-1-yl-idene]meth-yl]phenol: crystal structure, Hirshfeld surface analysis and computational study.

The complete mol-ecule of the title hydrazine carbodi-thio-ate derivative, CHNOS, is generated by a crystallographic twofold axis that bis-ects the di-sulfide bond. The mol-ecule is twisted about this bond with the C-S-S-C torsion angle of 90.70 (8)° indicating an orthogonal relationship between the symmetry-related halves of the mol-ecule.

4-[(1)-({[(Benzyl-sulfan-yl)methane-thio-yl]amino}-imino)-meth-yl]benzene-1,3-diol chloro-form hemisolvate: crystal structure, Hirshfeld surface analysis and computational study.

The title hydrazine carbodi-thio-ate chloro-form hemisolvate, 2CHNOS·CHCl, comprises two independent hydrazine carbodi-thio-ate mol-ecules, and , and a chloro-form mol-ecule; the latter is statistically disordered about its mol-ecular threefold axis. The common features of the organic mol-ecules include an almost planar, central CNS chromophore [r.m.

()-{[(Butyl-sulfan-yl)methane-thio-yl]amino}(4-meth-oxy-benzyl-idene)amine: crystal structure and Hirshfeld surface analysis.

The title hydrazine carbodi-thio-ate, CHNOS, is constructed about a central and almost planar CNS chromophore (r.m.s.

Bis(4-meth-oxy-chalcone 4-ethyl-thio-semi-carbazon-ato-κ,)zinc(II): crystal structure and Hirshfeld surface analysis.

The title Zn complex, [Zn(CHNOS)] {systematic name: bis-[(-ethyl-'-{()-[(2)-3-(4-meth-oxy-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-carb-am-im-id-o-yl)sulfanido]zinc(II)}, features a tetra-hedrally coordinated Zn ion within an NS donor set provided by two ,-chelating thio-semicarbazone anions. The resulting five-membered Zn,C,N,S chelate rings adopt different conformations, . almost planar and an envelope with the Zn atom being the flap atom.

3-{()-[4-(4-Hy-droxy-3-meth-oxy-phen-yl)butan-2-yl-idene]amino}-1-phenyl-urea: crystal structure and Hirshfeld surface analysis.

Two independent mol-ecules ( and ) comprise the asymmetric unit of the title compound, CHNO. The urea moiety is disubstituted with one amine being linked to a phenyl ring, which is twisted out of the plane of the CNO urea core [dihedral angles = 25.57 (11) () and 29.

1-{()-[(2)-3-(4-Meth-oxy-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-3-phenyl-urea: crystal structure and Hirshfeld surface analysis.

The title compound, CHNO, is constructed about an almost planar disubstituted amino-urea residue (r.m.s.

Bis('-{()-[(2)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}--ethyl-carbamimido-thio-ato-κ',)zinc(II): crystal structure and Hirshfeld surface analysis.

The title Zn complex, [Zn(CHNS)], (I), features two independent but chemically equivalent mol-ecules in the asymmetric unit. In each, the thio-semicarbazonate monoanion coordinates the Zn atom the thiol-ate-S and imine-N atoms, with the resulting NS donor set defining a distorted tetra-hedral geometry. The five-membered ZnSCN chelate rings adopt distinct conformations in each independent mol-ecule, one ring is almost planar while the other is twisted about the Zn-S bond.

Erratum: '-[Bis(benzyl-sulfan-yl)methyl-idene]benzo-hydrazide. Corrigendum.

[This corrects the article DOI: 10.1107/S1600536812019472.].

Crystal structure of 1-{(Z)-[(2E)-3-(4-chloro-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-3-ethyl-thio-urea.

In the title thio-semicarbazone compound, C18H18ClN3S, the CN3S residue is almost planar (r.m.s.

Synthesis, characterization and biological evaluation of transition metal complexes derived from N, S bidentate ligands.

Two bidentate NS ligands were synthesized by the condensation reaction of S-2-methylbenzyldithiocarbazate (S2MBDTC) with 2-methoxybenzaldehyde (2MB) and 3-methoxybenzaldehyde (3MB). The ligands were reacted separately with acetates of Cu(II), Ni(II) and Zn(II) yielding 1:2 (metal:ligand) complexes. The metal complexes formed were expected to have a general formula of [M(NS)2] where M = Cu2+, Ni2+, and Zn2+.

Synthesis, characterization and biological activity of Cu(II), Zn(II) and Re(I) complexes derived from S-benzyldithiocarbazate and 3-acetylcoumarin.

Cu(II), Zn(II) and Re(I) complexes have been synthesized with the Schiff base, N'-[1-(2-oxo-2H-chromen-3-yl)-ethylidene]-hydrazinecarbodithioic acid benzyl ester (SBCM-H) which was prepared by condensation of S-benzyldithiocarbazate and 3-acetylcoumarin. The metal complexes were characterized on the basis of various physico-chemical and spectroscopic techniques including elemental analysis and electrochemical studies, and FT-IR, UV-Vis, NMR, EPR and mass spectroscopy. The Schiff base was found to behave as a bidentate ligand coordinating with Cu(II) and Zn(II) in the thiolate form with 1:2 metal to ligand stoichiometry.

Crystal structure of 2-{[2-(3-phenyl-allyl-idene)hydrazin-1-yl]thio-carbonyl-sulfanylmeth-yl}pyridinium chloride.

In the title salt of an S-substituted di-thio-carbazate, C16H16N3S2 (+)·Cl(-), the dihedral angles between the almost planar (r.m.s deviation = 0.

Conjugation of a new series of dithiocarbazate Schiff base Copper(II) complexes with vectors selected to enhance antibacterial activity.

A new series of six Schiff bases derived from S-methyldithiocarbazate (SMDTC) and S-benzyldithiocarbazate (SBDTC) with methyl levulinate (SMML, SBML), levulinic acid (SMLA, SBLA), and 4-carboxybenzaldehyde (SM4CB, SB4CB) were reacted with copper(II), producing complexes of general formula ML2 (M = Cu(II), L = ligand). All compounds were characterized using established physicochemical and spectroscopic methods. Crystal structures were determined for three Schiff bases (SMML, SBML, SBLA) and two Cu(II) complexes (Cu(SMML)2 and Cu(SMLA)2).

Synthesis, Characterization, and Bioactivity of Schiff Bases and Their Cd(2+), Zn(2+), Cu(2+), and Ni(2+) Complexes Derived from Chloroacetophenone Isomers with S-Benzyldithiocarbazate and the X-Ray Crystal Structure of S-Benzyl- β -N-(4-chlorophenyl)methylenedithiocarbazate.

Two bidentate Schiff base ligands having nitrogen sulphur donor sequence were derived from the condensation of S-benzyldithiocarbazate (SBDTC) with 2-chloroacetophenone and 4-chloroacetophenone to give S-benzyl- β -N-(2-chlorophenyl)methylenedithiocarbazate (NS2) and S-benzyl- β -N-(4-chlorophenyl)methylenedithiocarbazate (NS4) isomers. Each of the ligands was then chelated with Cd(2+), Zn(2+), Cu(2+), and Ni(2+). The compounds were characterized via IR spectroscopy and melting point while the structure of NS4 was revealed via X-ray crystallography.

2,2-Dibenzyl-hydrazin-1-ium chloride.

In the title salt, C14H17N2(+)·Cl(-), the central N atom is pyramidal (sum of bond angles = 330.9°) and there is a near orthogonal relationship between the benzene rings [dihedral angle = 89.95 (10)°].

Benzyl N-[(Z)-(1-methyl-2-sulfanyl-propyl-idene)amino]-carbamodithio-ate.

The title compound, C(12)H(16)N(2)S(3), was obtained by the condensation reaction of S-benzyl dithio-carbazate and 3-mercaptobutan-2-one. The phenyl ring and thiol (SH) group are approximately perpendicular [S-C-C-C and N-C-C-S torsion angles = 67.8 (3) and 116.

(Pyridin-4-yl)methyl N'-(3-phenyl-allyl-idene)hydrazinecarbodithio-ate.

In the title compound, C(16)H(15)N(3)S(2), the central C(2)N(2)S(2) residue is planar (r.m.s.

2-Cyclo-hexyl-idene-N-methyl-hydrazine-carbothio-amide.

The title compound C(8)H(15)N(3)S has two mol-ecules in the asymmetric unit in which cis-trans isomerism is exhibited around the N(NH)C=S bonds. The cyclo-hexyl rings in both mol-ecules adopt a chair conformation. In the crystal, N-H⋯S hydrogen bonding produces dimers, which are inter-connected through further N-H⋯S hydrogen bonds, forming chains along the b-axis direction.

Quantitative and qualitative QuantiFERON(®)-TB gold in-tube results among groups with varying risks of exposure to tuberculosis.

Objective: We sought to describe qualitative and borderline quantitative QuantiFERON(®)-TB Gold In-Tube (QFT-IT; Cellestis, Valencia, CA) results among persons screened in the context of routine reasons, employment, contact investigation, high-risk foreign-born arrivals in the United States ≤ 5 years, and high-risk United States residents >5 years.

Methods: We performed a retrospective review of 3288 QFT-IT results from a clinical laboratory in the Pacific Northwest from January 2, 2008 to June 5, 2009. Interferon-γ (IFN-γ) responses were quantified as low, borderline, or high for tuberculosis (TB) antigens (IFN-γ [TB]) and a positive mitogen control (IFN-γ [mitogen]), after subtracting a background control (IFN-γ [nil]).

1-Methyl-2-({[(2-methyl-phen-yl)meth-yl]disulfan-yl}meth-yl)benzene.

In the title disulfide, C(16)H(18)S(2), the mol-ecule is twisted about the central S-S bond [the C-S-S-C torsion angle = 93.24 (7)°] and the dihedral angle between the benzene rings is 72.84 (7)°, indicating an almost orthogonal relationship; the methyl groups are orientated to the same side of the mol-ecule.