Search results for "Thio-"
showing 10 items of 52 documents
catena-Poly[benzyltriethylammonium [tri-μ-thiocyanato-κ4N:S;κ2S:N-cadmate(II)]]
2006
The title compound, {[(C6H5CH2)N(C2H5)3][Cd(SCN)3]}n, contains benzyltriethylammonium cations lying between one-dimensional chains of stoichiometry {[Cd(SCN)3]−}n. Each Cd2+ ion is 3N,3S-hexacoordinated by thiocyanate ligands in an octahedral arrangement. The asymmetric unit contains one cation and one anion.
Crystal structure ofS-octyl (E)-3-(4-methoxybenzylidene)dithiocarbazate
2015
As already observed in similar molecules, the dithiocarbazate group in the title compound, C17H26N2OS2, adopts anEEconfiguration with respect to the C=N bond of the benzylidene moiety. In the crystal, molecules are connected into inversion dimers by pairs of N—H...S hydrogen bonds. The dimers are linked by weak π–π interactions, with centroid-to-centroid distances of 3.723 (11) Å, forming chains parallel to [110].
Crystal structure of (2E)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one
2017
In the title chalcone-thiophene derivative, the dihedral angle between the aromatic and the thiophene rings is 11.4 (2)°. In the crystal, molecules are linked by C—H⋯O and C—H⋯S weak interactions along [100], forming rings of R22(8) graph-set motif, by C—H⋯O weak interactions along [010], forming C(6) chains, and by weak H(methyl–group)⋯Cg(thiophene ring) interactions into dimers; the crystal packing resembles a herringbone arrangement when viewed along [100]. A molecular docking calculation of the title compound with the neuraminidase enzyme was carried out.
Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide
2018
In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C—H...Cl and C—H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N—H...O and C—H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2(8) and R 1 2(11), which are connected by C—H...O hydrogen-bonding interactions into ribbons parallel to (100). Th…
Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ2-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate
2016
The crystal structure of a binuclear monocarboxylato dirhenium(III) complex with a fulvalene derivative is reported. This compound represents a radical cation salt containing a cluster unit with rhenium–rhenium quadruple bond.
Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)
2016
The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thiocyanate group. The CuN4S2 octahedron is more distorted than the CoN6 and NiN6 octahedra.
Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1R,4S)- and 1-[(1S,4R)-1,7,7-trimethyl-…
2020
A racemic mixture of (R)- and (S)-camphor thiosemicarbazone, which crystallizes in the centrosymmetric space group C2/c, is reported.
Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithioc…
2019
The NiII atom in the mononuclear title complex has an almost regular octahedral N4O2 coordination geometry. In the crystal, the complex molecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.
Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]
2019
The title compound, {(C9H11N2)[Mn(NCS)3]} n , has been obtained as a side product of the salt metathesis reaction of 1-ethyl-3-methylimidazolium bromide, (EMIm)Br, and K2[Mn(NCS)4]. The structure consists of discrete 1-ethyl-3-methylimidazolium cations and an anionic two-dimensional network of manganese(II)-based complex anions, interconnected by thiocyanate ions. Every Mn2+ ion is coordinated by three S atoms of three NCS− ions and three N atoms of further three NCS− ions in a meridional octahedral fashion.
Crystal structure of two N′-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides
2019
Two N′-(1-(phenylethylidene)-2-(thiophen-3-yl)acetohydrazides containing –OH and –OCH3 at the para-position of the phenyl ring have been synthesized and their molecular and crystal structures are reported.