Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro-phen-yl)meth-yl]-3-methyl-6-oxopyridazin-1-yl}--phenyl-acetamide.

In the title mol-ecule, CHClNO, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)].

GC-MS Characterization and Bioactivity Study of Labill. (Myrtaceae) Essential Oils and Their Fractions: Antibacterial and Antioxidant Properties and Molecular Docking Modeling.

Background/objectives: is a medicinal plant extensively used by the Moroccan population for treating a range of illnesses, especially respiratory conditions.

Methods: This study aimed to assess the antioxidant and antibacterial properties of essential oil and its individual fractions (F1, F2, and F3). Antioxidant activity was evaluated through iron-reducing power, 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays.

2-[4-(2-Chloro-benz-yl)-3-methyl-6-oxo-1,6-di-hydro-pyridazin-1-yl]--(4-fluoro-phen-yl)acetamide.

The conformation of the title mol-ecule, CHClFNO, is partly determined by an intra-molecular C-H⋯O hydrogen bond, which leads to a dihedral angle of 14.7 (4)° between the fluoro-benzene ring and the acetamide group. The 2-chloro-benzyl group is rotationally disordered over two orientations in a 0.

Novel Pyrazole-Based Benzofuran Derivatives as Anticancer Agents: Synthesis, Biological Evaluation, and Molecular Docking Investigations.

In this work, the design, synthesis, and mechanistic studies of novel pyrazole-based benzofuran derivatives 1-8 as anticancer agents were discussed. Cytotoxic potency of the title compounds was evaluated against the lung carcinoma A-549, human-derived colorectal adenocarcinoma HT-29, breast adenocarcinoma MCF-7 cells as well as mouse fibroblast 3T3-L1 cells using XTT assay. Anticancer mechanistic studies were carried out with flow cytometry.

Ethyl 2-[4-(4-meth-oxy-benz-yl)-3-methyl-6-oxopyridazin-1-yl]acetate.

In the title mol-ecule, CHNO, the inner part of the ester substituent is nearly perpendicular to the di-hydro-pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C-H⋯O inter-actions with the dimers connected into chains extending along the -axis direction by C-H⋯π(ring) inter-actions.

Crystal structure and Hirshfeld surface analysis of ()-3-benzyl-idene-4-oxo-penta-noic acid.

The asymmetric unit of the title mol-ecule, CHO, contains two independent mol-ecules having opposite conformations and each forming self-dimers through complementary O-H⋯O hydrogen bonds. These dimers are linked by weak C-H⋯π inter-actions and C-H⋯O hydrogen bonds into a three-dimensional structure in which one can discern layers parallel to the plane. A Hirshfeld surface analysis of the inter-molecular inter-actions is included.