364 research outputs found
trans-Tetraaquabis{(E)-2-cyano-1-[(ethoxycarbonyl)methylsulfanyl]-2-(1-naphthylaminocarbonyl)ethene-1-thiolato}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 octahedrally by four water molecules and two anions of the ketene dithioacetal, 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). Intramolecular hydrogen bonds are observed from the NH group to the formally ‘thiolate’ S atom and from one coordinated water to the nitrile group and to the ether O atom. Intermolecular hydrogen bonds from the second independent water molecule to the thiolate S atom and the side-chain oxo group connect the molecules in chains parallel to the a axis
Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)- N
In the molecule 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 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
Crystal structure of racemic 2-[(ß-arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile
In the racemic title compound, C23H20N2O4S, the sulfur atom is attached equatorially to the sugar ring with unequal S—C bonds, viz.: S—Cs = 1.808 (2) and S—Cp = 1.770 (2) Å (s = sugar, p = pyridyl). The dihedral angles between the pyridine ring and its attached phenyl groups are 42.24 (8) and 6.37 (14)°. In the crystal, a system of classical O—H⋯O and O—H⋯(O,O) hydrogen bonds links the molecules to form tube-like assemblies propagating parallel to the c-axis direction. Weak C—H⋯N interactions are also observed
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 molecule 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)
6-(2-Fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
In the title compound, C20H14FN3, the pyrimidine ring adopts a half-chair conformation. The dihedral angle between the benzimidazole ring system and the fluorophenyl ring is 84.18 (10)°. In the crystal structure, molecules are linked into a two-dimensional network parallel to the bc plane by N—H⋯N and C—H⋯F hydrogen bonds
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