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In this study, we introduce a novel indole‐containing pyridine‐based Schiff base, (E)‐2‐({[bis(pyridin‐2‐yl)methylidene]hydrazin‐1‐ylidene}methyl)‐1H‐indole, C20H15N5 (2‐DPHI), and its cadmium(II) complex poly[[2‐({[bis(pyridin‐2‐yl)methylidene]hydrazin‐1‐ylidene}methyl)‐1H‐indole]di‐μ‐chlorido‐cadmium(II)], [CdCl2(C20H15N5)]n (pCd2), as potential anticancer agents. The Schiff base was synthesized by reacting dipyridylmethanone hydrazone with indole‐2‐formaldehyde, while the cadmium complex was prepared by combining CdCl2 and 2‐DPHI in methanol at room temperature. Both compounds were evaluated for their cytotoxicity against three human cancer cell lines (A375, A549 and HeLa) and a normal cell line (HFF‐1). The ligand 2‐DPHI exhibited notable antitumour activity, with an IC50 value of 12.22 µM against A375 and 15.17 µM against A549 after 48 h, while the pCd2 complex showed an even stronger inhibition of A375 cells, with an IC50 value of 4.88 µM, outperforming both 2‐DPHI and CdCl2. Both compounds demonstrated lower toxicity towards normal cells compared to cancer cells. The structures of 2‐DPHI and pCd2 were fully characterized using single‐crystal X‐ray diffraction, elemental analysis, high‐resolution mass spectrometry and FT–IR, 1H NMR, 13C NMR and UV–Vis spectroscopy. [ABSTRACT FROM AUTHOR]

A novel and potentially active dihydroorotate dehydrogenase (DHODH) inhibitor, namely 3-({( E)-[( E)-1-(biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1 H-indole (BEHI) acetonitrile disolvate, C23H19N3·2CH3CN, has been designed and synthesized. The structure of BEHI was characterized by elemental analysis, Q-TOF (quadrupole time-of-flight) MS, NMR, UV-Vis and single-crystal X-ray diffraction. The antitumour activity of the target molecule was evaluated by the MTT method. Results indicated that BEHI exhibited rather potent cytotoxic activity against human A549 (IC50 = 20.5 µ M) and mouse breast 4T1 (IC50 = 18.5 µ M) cancer cell lines. Meanwhile, to rationalize its potencies in the target, BEHI was docked into DHODH and the interactions with the active site residues were analyzed. Single-crystal structure analysis indicated that hydrogen bonds are present only between BEHI and acetonitrile solvent molecules in the asymmetric unit. The interplay of weak π-π stacking and weak C(N)-H...π interactions between neighbouring BEHI molecules play crucial roles in the formation of the final supramolecular frameworks. [ABSTRACT FROM AUTHOR]

The title compound, {(C18H34N2O8)[Hg4I10]} n, contains two subunits, namely doubly protonated N, N, N′, N′-tetra­kis[3-(methoxy­carbon­yl)prop­yl]ethyl­enediammonium cations and macroanionic penta­iodo­dimercurate [Hg2I5−] n chains. The complete cation is generated by twofold symmetry and the polymeric anion contains corner- and edge-shared HgI3 and HgI4 polyhedra. [ABSTRACT FROM AUTHOR]

In the title compound, (C18H23N2)4[SiW12O40]·14H2O, the asymmetric unit contains two trans-4-[( N, N-diethyl­amino)­styr­yl]- N-methyl­pyridinium (DEASP) cations, one half dodeca­tungstosilicate (SiW12O40) anion and seven water mol­ecules. The two DEASP cations form a periodically layered arrangement perpendicular to their mol­ecular planes and the SiW12O40 anions have a disordered `pseudo-Keggin' structure around an inversion centre. They are linked into an infinite three-dimensional assembly via electrostatic forces and C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, C(6)H(7)NO(3), contains two mol-ecules (A and B) related by a non-crystallographic twofold pseudo-axis. The mol-ecules are joined in the (AABB)(n) manner by O-H⋯O hydrogen bonds between their hy-droxy groups, thus forming C(2) chains along the a-axis direction. Neighboring mol-ecules of the same kind (A and A, or B and B) are related by inversion centers, so that all hy-droxy H atoms are disordered other two sets of sites with half occupancies (superimposed O-H⋯O and O⋯H-O fragments). The mol-ecules are further linked by C-H⋯O inter-actions, which can be considered to be weak hydrogen bonds.

In the crystal of the title compound, C(10)H(11)NO(4), the hy-droxy group forms an O-H⋯O(carbon-yl) hydrogen bond with an adjacent molecule, so forming chains which extend along (010). Further weak C-H⋯O hydrogen-bonding associations give an infinite three-dimensional network structure.

The title coordination polymer, {[Ag(C(8)H(7)O(5))]·H(2)O}(n), is built from Ag(+) cations and singly protonated dehydronorcantharidin (SP-DNC) anions, with a distorted trigonal-planar geometry at the metal centre. The coordination number of Ag(I) is three (with one Ag-π bond and two Ag-O bonds, one from each of three different SP-DNC ligands), if only formal Ag-ligand bonds are considered, but can be regarded as five if longer weak Ag···O interactions are also included. The two-dimensional corrugated-sheet coordination polymer forms a non-interpenetrating framework with (4.8(2)) topology. Disordered water molecules are sandwiched between the sheets., (© 2011 International Union of Crystallography)

The asymmetric unit of the title compound, C(20)H(15)NO(2), contains one half-molecule with the central N atom and two C atoms of the benzene moiety lying on a twofold rotation axis. Weak C-H⋯O inter-actions join the mol-ecules together into an infinite three-dimensional network.