Mohd Mustaqim Rosli

(E)-4-Hydroxy-N′-(3-hydroxy-4-methoxybenzylidene)benzohydrazide

The molecule of the title benzohydrazide derivative, C15H14N2O4, exists in a trans conformation with respect to the C=N double bond and is twisted, the dihedral angle between the two benzene rings being 24.17 (6)°. The methoxy group is almost co-planar with respect to the attached benzene ring [Cm—O—C—C (m = methyl) = −1.45 (17)°]. In the crystal, the molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds into sheets parallel to the bc plane. These sheets are further connected into a three-dimensional network by weak C—H⋯O and C—H⋯π interactions.

9-(Pent-4-en-yl)anthracene.

In the title compound, C19H18, the anthracene system is almost planar, with a maximum deviation of −0.039 (1) Å. The structure is stabilized by C—H⋯π interactions. The pentene moiety is not planar and is twisted away from the attached anthracene system with a maximum torsion angle of 91.2 (1)°.

Synthesis, characterization, and cytotoxic activities of heterocyclic chalcones containing furan, and crystal structure of 1-(4-iodophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

ABSTRACT A series of heterocyclic chalcone (3a–e, 5, 7) were synthesized and characterized by Infrared, 1H and 13C nuclear magnetic resonance, and mass spectra. Crystal structure of 1-(4-iodophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one was determined using single crystal X-ray diffraction. All the synthesized compounds were evaluated for their cytotoxic activities on MDA MB 231 and CHO cell by using MTT assay. Compound 3c showed good cytotoxic effect on MDA MB 231 with IC50 values of 9.8 µg/mL.

Bis(6-meth­oxy-1-methyl-2,3,4,9-tetra­hydro-1H-β-carbolin-2-ium) tetra­chloridozincate(II) dihydrate

The asymmetric unit of the title compound, (C13H17N2O)2[ZnCl4]·2H2O, contains two tetrahydroharmine cations, one tetrachlorozincate(II) anion and two water molecules. In the cations, the two 1H-indole ring systems are essentially planar, with maximum deviations of 0.016 (2) and 0.018 (2) Å, and both tetrahydropyridinium rings show a half-chair conformation. The ZnII complex anion has a distorted tetrahedral geometry. In the crystal, intermolecular N—H⋯O, N—H⋯Cl, O—H⋯O, O—H⋯Cl and C—H⋯O hydrogen bonds link the components into a three-dimensional network. A π–π interaction with a centroid–centroid distance of 3.542 (14) Å is also observed.

3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-ethyl-1H-benzimidazol-1-ium) bis­(hexa­flourophosphate)

In the title compound, C26H28N4 2+·2PF6 −, the complete cation is generated by a crystallographic twofold axis. The benzimidazole ring is almost planar (r.m.s. deviation = 0.0207 Å) and makes dihedral angles of 50.12 (2)° with its symmetry-related component and 65.81 (2)° with the central benzene ring. In the crystal, molecules are linked into a three-dimensional network by C—H⋯F interactions. A π–π interaction with a centroid–centroid distance of 3.530 (1) Å is observed. Four F atoms of the hexafluorophosphate anion are disordered over two sets of sites in a 0.889 (6):0.111 (6) ratio.

Dibenzo-18-crown-6–picric acid–water (1/2/3)

In the crown ether ring of the title compound, C20H24O6·2C6H3N3O7·3H2O, the O—C(H2)—C(H2)—O torsion angles indicate a gauche conformation of the ethyleneoxy units, while the C—O—C—C torsion angles indicate planarity of these segments; the dihedral angle between the two benzene rings is 44.53 (13)°. In both picric acid molecules, one of the nitro groups is twisted away from the attached ring. The molecules are linked into chains along the b axis via intermolecular O—H⋯O hydrogen bonds. In addition, the crystal structure is stabilized by C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance between benzene rings = 3.5697 (16) Å].

An Efficient Ionic Liquid Mediated Synthesis, Cholinesterase Inhibitory Activity and Molecular Modeling Study of Novel Piperidone Embedded α ,β-Unsaturated Ketones

A series of hitherto unreported piperidone embedded α,β-unsaturated ketones were synthesized efficiently in ionic solvent and evaluated for cholinesterase inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Most of the synthesized compounds displayed good enzyme inhibition; therein compounds 7i and 7f displayed significant activity against AChE with IC50 values of 1.47 and 1.74 µM, respectively. Compound 6g showed the highest BChE inhibitory potency with IC50 value of 3.41 µM, being 5 times more potent than galanthamine. Molecular modeling simulation was performed using AChE and BChE receptors extracted from crystal structure of human AChE and human BChE to determine the amino acid residues involved in the binding interaction of synthesized compounds and their relevant receptors.

Ethyl 2-[4-(di­methyl­amino)­phen­yl]-1-phenyl-1H-benzimidazole-5-carboxyl­ate

In the title compound, C24H23N3O2, the benzimidazole ring system makes dihedral angles of 7.28 (5) and 67.17 (5)°, respectively, with the planes of the benzene and phenyl rings, which in turn make a dihedral angle of 69.77 (6)°. In the crystal, molecules are connected by C—H⋯N and C—H⋯O interactions, forming a layer parallel to the bc plane. A π–π interaction, with a centroid–centroid distance of 3.656 (1) Å, is observed in the layer.

(E)-4-Hy­droxy-N′-(2-meth­oxy­benzyl­idene)benzohydrazide

In the title compound, C15H14N2O3, the dihedral angle between the benzene rings is 66.56 (5)°. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O interactions link the molecules into a three-dimensional network. A π–π interaction, with a centroid–centroid distance of 3.628 (6) Å, helps to establish the packing.

Ethyl 1-[2-(morpholin-4-yl)eth-yl]-2-[4-(morpholin-4-yl)phen-yl]-1H-1,3-benzimidazole-5-carboxyl-ate.

The asymmetric unit of the title compound, C26H32N4O4, consists of two independent molecules. In both molecules, the ethoxy groups are each disordered over two sets of sites with occupancies of 0.695 (4):0.305 (4) and 0.877 (2):0.123 (2). The dihedral angles between the benzimidazole ring system and the adjacent benzene ring in the two molecules are 41.41 (5) and 31.46 (5)°. In the crystal, molecules are linked by C—H⋯O and C—H⋯N interactions.