V.C. Gervini

2-(5-Chloro-2-oxoindolin-3-yl-idene)hydrazinecarbo-thio-amide.

The title molecule, C9H7ClN4OS, is almost planar, with an r.m.s. deviation of 0.034 (2) Å for the mean plane through all the non-H atoms. Intramolecular N—H⋯O and N—H⋯N hydrogen bonds form S(6) and S(5) ring motifs, respectively. In the crystal, molecules are assembled into inversion dimers through pairs of co-operative N—H⋯Cl interactions. These dimers are connected along the b axis by N—H⋯O and N—H⋯S hydrogen bonds, generating layers parallel to (103). The layers are further connected along the a axis into a three-dimensional network, through weak π–π stacking interactions [centroid–centroid distance = 3.849 (2) Å].

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.

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.

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).

Hirshfeld analysis and mol­ecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-yl­idene)-N-methyl­hydrazinecarbo­thio­amide

The title isatin thiosemicarbazone derivative is an intermediate in the synthetic pathway of HIV-1 reverse transcriptase inhibitors. A molecular docking evaluation of the title compound with the ribonucleoside diphosphate reductase (RDR) enzyme was carried out.

Crystal structure of (3E)-5-nitro-3-(2-phenyl­hydrazinyl­idene)-1H-indol-2(3H)-one

The molecule of 5-nitroisatin-3-phenylhydrazone deviates slightly from a planar geometry. In the crystal, molecules are linked by hydrogen bonding into a two-dimensional polymer along (120), forming rings of graph-set motifs (8), (26), (32) and S(6). In addition, molecules are stacked along the [100] through C=O⋯Cg interactions, as suggested by the Hirshfeld surface, which also indicates that the most important contributions for the crystal structure cohesion are O⋯H (28.5%) and H⋯H (26.7%) interactions. An in silico evaluation of the title compound with the dihydrofolate reductase enzyme was performed and N—H⋯O and Cg⋯Cg interactions were found.

Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-yl-idene)hydrazinecarbo-thio-amide.

In the title compound, C9H7FN4OS, the molecules are almost planar, with an r.m.s. deviation of 0.047 (3) Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123 (2) Å for the amine N atom. The torsion angle for the N—N—C—S unit is 176.57 (19)°. In the crystal, molecules are linked into inversion dimers via pairs of N—H⋯F hydrogen bonds and, additionally, through N—H⋯O and N—H⋯S hydrogen bonds, building a two-dimensional hydrogen-bond network parallel to the (103) plane. An intramolecular N—H⋯O interaction is also observed.

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.