Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

• Main Authors: Vasant S. Naik, Venkataraya Shettigar, Tyler S. Berglin, Jillian S. Coburn, Jerry P. Jasinski, Hemmige S. Yathirajan
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-08-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; bromothiophene; methoxyphenylprop-2-en-1-one; molecular conformation; nearly coplanar molecules; C—H...π interactions; π–π sacking interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015013420
• ISSN: 2056-9890

In the molecules of the title compounds, (2E)-1-(3-bromo-thiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one, C14H11BrO2S, (I), which crystallizes in the space group P-1 with four independent molecules in the asymmetric unit (Z′ = 8), and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, C15H13BrO3S, (II), which crystallizes with Z′ = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The molecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C—H...Br intramolecular interactions in each of the four molecules in the asymmetric unit are observed. In (II), weak C—H...O, bifurcated three-center intermolecular interactions forming dimers along with weak C—H...π and π–π stacking interactions are observed, linking the molecules into sheets along [001]. A weak C—H...Br intramolecular interaction is also present. There are no classical hydrogen bonds present in either structure.