Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R12(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis

Structural, Hirshfeld surface and three-dimensional interaction-energy studies of 1,3,5-triethyl 2-amino-3,5-dicyano-4,6-bis(4-fluorophenyl)cyclohex-1-ene-1,3,5-tricarboxylate

In the title compound, C29H27F2N3O6, which crystallizes in the monoclinic space group P21/c, the cyclohexenone ring is puckered and adopts an envelope conformation. The crystal structure features various intermolecular interactions, such as N—H...O, C—H...N and C—H...O. These interactions were investigated using Hirshfeld surface analysis and the three-dimensional interaction energies were calculated using the B3LYP/6–31 G(d,p) energy density model

Crystal Structure of (4-Fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone

This paper reports on a newly synthesized compound (4-fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone) which is crystallized into a monoclinic system with the space group of P21; the cell parameters are a = 5.4232(4)Å, b = 14.1405(6), c = 7.5318(4)Å, β = 94.198(5)° and Z = 2. The structure is solved by a direct method and refined by full-matrix least squares on F2 reduced to R1 = 0.0337, wR2 = 0.0806. Also, the crystal structure, molecules are stabilized by short C–H···O and C–H···F contact