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
| Autor: | Jerry P. Jasinski, Vasant S. Naik, Hemmige S. Yathirajan, Jillian Coburn, Tyler S. Berglin, Venkataraya Shettigar |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
crystal structure
methoxyphenylprop-2-en-1-one Stacking Thio Nanotechnology Crystal structure C—H⋯π interactions Medicinal chemistry Molecular conformation Research Communications lcsh:Chemistry C—H...π interactions General Materials Science molecular conformation nearly coplanar molecules nearly coplanar molecules Hydrogen bond Chemistry methoxyphenylprop-2-en-1-one General Chemistry Condensed Matter Physics π–π sacking interactions bromothiophene molecular conformation lcsh:QD1-999 bromothiophene π–π sacking interactions |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 8, Pp 965-971 (2015) |
| ISSN: | 2056-9890 |
| DOI: | 10.1107/s2056989015013420 |
| Popis: | Two closely related related nearly coplanar molecules of 1-(3-bromothiophen-2-yl)-3-(methoxyphenyl)prop-2-en-1-ones exhibit different patterns of weak inter- or intramolecular interactions and crystallize in different space groups. 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|