Leandro Bresolin

1-(5-Bromo-2-oxoindolin-3-yl­idene)thio­semicarbazone

The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N—H⋯O and N—H⋯S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via π–π interactions [centroid–centroid distance = 3.470 (2) Å] and further connected by N—H⋯Br interactions into a three-dimensional network. An intramolecular N—H⋯O hydrogen bond is also observed.

N′-[3-(Hy­droxy­imino)­butan-2-yl­idene]-4-methyl­benzene-1-sulfono­hydrazide

In the title compound, C11H15N3O3S, the C—S—N(H)—N linkage is nonplanar, the torsion angle being 75.70 (12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC4H6)N—N(H)–] and the tolyl fragment (C7H7–) have maximum deviations from the mean plane through the non-H atoms of 0.0260 (10) and 0.0148 (14) Å, respectively. The two planar fragments make an interplanar angle of 79.47 (5)°. In the crystal, molecules are connected through inversion centers via pairs of N—H⋯O and O—H⋯N hydrogen bonds.

Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ3O,N1,S}cadmium(II) with an unknown solvent mol­ecule

The reaction between the racemic mixture of the camphor-4-phenylthiosemicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C17H20N3OS)2]. The CdII ion is six-coordinated in a distorted octahedral environment by two deprotonated thiosemicarbazone ligands acting as an O,N,S-donor in a tridentate chelating mode, forming five-membered chelate rings. In the crystal, the molecules are connected via pairs of N—H⋯S and C—H⋯S interactions, building centrosymmetric dimers. One of the ligands is disordered in the campher unit over two sets of sites with site-occupancy factors of 0.7 and 0.3. The structure contains additional solvent molecules, which are disordered and for which no reasonable split model was found. Therefore, the data were corrected for disordered solvent using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. Since the disordered solvents were removed by data processing, and the number of solvent entities was a suggestion only, they were not considered in the chemical formula and subsequent chemical or crystal information.

1-(2H-1,3-Benzodioxol-5-yl)ethanone thio-semicarbazone.

In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothioamide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, molecules are linked by pairs of almost linear N—H⋯S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N—H⋯S interactions into chains along [101]. There is one additional weak N—H⋯O contact which, if considered as an interaction, leads to the formation of a three-dimensional network.

Bis{4-phenyl-1-[1-(pyridin-2-yl-κN)ethyl­idene]thio­semicarbazidato-κ2N1,S}cadmium

The reaction of cadmium acetate dihydrate with 2-acetylpyridine (4-phenylthiosemicarbazone) yielded the title compound, [Cd(C14H13N4S)2]. The CdII atom is six-coordinated in a distorted octahedral environment by two deprotonated thiosemicarbazone ligands acting in a tridentate chelating mode through two N and one S atoms, forming metalla-rings. In the crystal, molecules are connected through inversion centers via pairs of N—H⋯S interactions, building a one-dimensional hydrogen-bonded polymer along [0-1-1].

1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide

The title molecule, C5H5N5O3S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182 (3) Å for the amine N atom. In the crystal, molecules are connected via N—H⋯O and N—H⋯S interactions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intramolecular N—H⋯O hydrogen bond is observed.

A one-dimensional coordination polymer constructed from isatine-3-oximate and sodium

The reaction of hydroxylamine hydrochloride with isatin in ethanol, catalysed with HCl and neutralized with Na2CO3, yielded the one-dimensional coordination polymer, catena-poly[[[aquasodium]-di-μ-aqua-[aquasodium]-bis(μ-2-oxoindoline-2,3-dione 3-oximato)] tetrakis(oxoindoline-2,3-dione 3-oxime)], {[Na(C8H5N2O2)(H2O)2]·2C8H6N2O2}n. The NaI atom has a six-coordinate distorted-octahedral environment. Isatine-3-oximate O atoms and water molecules bridge adjacent Na atoms, forming a one-dimensional polymeric structure parallel to [100]. Each isatine-3-oxime dimerizes through N—H⋯O interactions and in addition each oxime is linked to a coordination polymer. Thus, coordination polymers are linked by O—H⋯O and O—H⋯N interactions from isatine-3-oxime dimers, building a two-dimensional network parallel to [110].

Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ2O2,N3)-trans-bis­(pyridine-κN)copper(II)

The crystal structure and the Hirshfeld surface analysis of a 5-fluoroisatin 3-oxime and copper(II) complex are reported. In the crystal, the centrosymmetric complexes are linked by hydrogen bonding into a three-dimensional network. This work is the second report in the literature of a crystal structure with isatin 3-oxime derivatives acting as ligands (for metal complexes).

Crystal structure of (2E)-3-[4-(di­methyl­amino)­phen­yl]-1-(thio­phen-2-yl)prop-2-en-1-one

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 of bis-{μ-4-methyl-N'-[3-(oxido-imino)-butan-2-yl-idene]benzene-sulfono-hydrazidato}bis-[(dimethyl sulfoxide-κO)copper(II)].

In the title compound, [Cu2(C11H13N3O3S)2(C2H6OS)2], the CuII cation is N,N′,O-chelated by a deprotonated hydroxyimino-tosylhydrazone ligand and coordinated by a dimethyl sulfoxide molecule. One O atom from the adjacent hydroxyimino-tosylhydrazone ligand bridges the CuII cation, forming the centrosymmetric dimeric complex. The cation is in an overall distorted N2O3 square-pyramidal coordination environment. The methylbenzene ring is twisted with respect to the hydrazine fragment, with a dihedral angle of 89.54 (9)° between the planes. An intramolecular C—H⋯O hydrogen bond occurs. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯S interactions. Weak π–π stacking is also observed between parallel benzene rings of adjacent molecules, the centroid–centroid distance being 3.9592 (17) Å.