71 research outputs found
trans-TetraÂaquaÂbis{(E)-2-cyano-1-[(ethoxyÂcarbonÂyl)methylÂsulfanÂyl]-2-(1-naphthylÂaminoÂcarbonÂyl)ethene-1-thiolÂato}calcium(II) diethyl ether disolvate
In the title compound, [Ca(C18H15N2O3S2)(H2O)4]·2C4H10O, the Ca atom, which lies on an inversion centre, is coordinated octaÂhedrally by four water molÂecules and two anions of the ketene dithioÂacetal, the donor atoms of which are the amidic carbonyl O atoms. The central backbone of the ligands (excluding the naphthalene and oxoethyl groups) is essentially planar (r.m.s. deviation 0.035 Å). IntraÂmolecular hydrogen bonds are observed from the NH group to the formally ‘thiolÂate’ S atom and from one coordinated water to the nitrile group and to the ether O atom. InterÂmolecular hydrogen bonds from the second independent water molÂecule to the thiolÂate S atom and the side-chain oxo group connect the molÂecules in chains parallel to the a axis
Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1H-pyrazol-2-yl)acetate
Crystal structure of N'-[2-(benzo[d]thia-zol-2-yl)acet-yl]benzohydrazide, an achiral compound crystallizing in space group P1 with Z = 1.
In the molecule of the title compound, C16H13N3O2S, one hydrazinic nitrogen atom is essentially planar, but the other is slightly pyramidalized. The torsion angle about the hydrazinic bond is 66.44 (15)°. Both hydrazinic hydrogen atoms lie anti-periplanar to the oxygen of the adjacent carbonyl group. The mol-ecular packing is a layer structure determined by two classical hydrogen bonds, N-H⋯O=C and N-H⋯Nthia-zole. The space group is P1 with Z = 1, which is unusual for an achiral organic compound
Unexpected products of the reaction of cyanoacetylhydrazones of aryl/heteryl ketones with hydrazine: a new route to aryl/heteryl hydrazones, x-ray structure, and in vitro anti-proliferative activity against nci 60-cell line panel
A new unexpected synthetic non-catalytic method for the synthesis of novel heteryl hydrazones for base-modification of nucleoside analogs has been developed. Characterizations of the products have been performed using NMR spectroscopy and single crystal x-ray diffraction analysis. Further in vitro anti-proliferative potency of the compounds against NCI 60 cell lines has been estimated. The results indicate anti-cancer activity by the compounds against several of the cancer cell lines
Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide
In the molÂecule of the title compound, C15H18N2OS2, the central S2C=C(CN)C moiety is planar (r.m.s. deviation = 0.029 Å). The C=O and C—CN groups are trans to each other across their common C—C bond. In the crystal, one classical and two `weak' hydrogen bonds combine with borderline N⋯N and S⋯S contacts to form layers parallel to (10-2). One ethyl group is disordered over two positions with relative occupancy 0.721/0.279 (7)
Crystal structure of 4,6-diÂmethyl-2-{[3,4,5-trihyÂdrÂoxy-6-(hyÂdrÂoxyÂmethÂyl)tetraÂhydro-2H-pyran-2-yl]sulfanÂyl}nicotinoÂnitrile
In the title compound, C14H18N2O5S, the C—S bond lengths are unequal, with S—Cglucose = 1.8016 (15) Å and S—CpyridÂyl = 1.7723 (13) Å. The hydroÂphilic glucose residues lie in the regions z ≃ 0.25 and 0.75. Four classical hydrogen bonds link the molÂecules to form layers parallel to the ab plane, from which the pyridyl rings project; pyridyl ring stacking parallel to the a axis links adjacent layers
Crystal structure of N′-[2-(benzo[d]thiaÂzol-2-yl)acetÂyl]-4-methylÂbenzeneÂsulfonoÂhydrazide
In the title compound, C16H15N3O3S2, the hydrazide N atom bonded to the C=O group is planar, whereas that bonded to the SO2 group is pyramidally coordinated. The interÂplanar angle between the ring systems is 40.71 (3)°. MolÂecules are connected into ribbons parallel to the b axis by two classical hydrogen bonds N—H⋯O=C and N—H⋯NthiaÂzole
Crystal structure of potassium [4-amino-5-(benzo[d]thia-zol-2-yl)-6-(methyl-sulfan-yl)pyrimidin-2-yl](phenyl-sulfon-yl)aza-nide di-methyl-formamide monosolvate hemihydrate
The title compound, K+·C18H14N5O2S3 -·C3H7NO·0.5H2O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzo-thia-zole. The anion is deprotonated at the sulfonamide nitro-gen. The asymmetric unit of the title compound contains two potassium cations, two anions, two mol-ecules of DMF and one of water. The anions display some conformational differences but each contains an intra-molecular N-H⋯Nbenzo-thia-zole hydrogen bond. The potassium ions both display a highly irregular six-coordination, different for each potassium ion. The anions, together with the DMF and water mol-ecules, are linked by four classical hydrogen bonds to form chains parallel to the b-axis direction
- …