Preparation, Crystal Structure and Molecular Structure Studies and Hirshfeld Surface Analysis of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one

Knoevenagel condensation of 2-acetylthiophene and 4-methoxybenzaldehyde in the presence of potassium hydroxide in methyl alcohol at room temperature afforded (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl) prop-2-en-1-one. The synthesised compound was characterized by 1H NMR, Mass spectral and X-ray diffraction studies. The title molecule (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl) prop-2-en-1-one is crystallized in the monoclinic crystal system with the space group P21. The unit cell axes along a, b and c measure 4.149 (6) Å, 10.038 (1) Å and 14.552 (2) Å respectively and the angle between axis a and c was 91.9 (2)°. The number of formula units Z in the unit cell was 2. The crystal and molecular structure of the title compound is stabilized by C—H •••O hydrogen bond interactions. The Hirshfeld surface analysis was carried out to make it evident the presence of C—H •••O hydrogen bond interactions and to find the contributions of various inter molecular close contacts which stabilize the crystal lattice structure.