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

Naik, V. S. and Shettigar, V. and Berglin, T. S. and Coburn, J. S. and Jasinski, J. P. and Yathirajan, H. S. (2015) 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. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 71 (8). 965+. ISSN 2056-9890

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Official URL: http://doi.org/10.1107/S2056989015013420

Abstract

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) over bar 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 center dot center dot center dot Br intramolecular interactions in each of the four molecules in the asymmetric unit are observed. In (II), weak C-H center dot center dot center dot O, bifurcated three-center intermolecular interactions forming dimers along with weak C-H center dot center dot center dot pi and pi-pi stacking interactions are observed, linking the molecules into sheets along 001]. Aweak C-H center dot center dot center dot Br intramolecular interaction is also present. There are no classical hydrogen bonds present in either structure.

Item Type: Article
Uncontrolled Keywords: crystal structure; bromothiophene; methoxyphenylprop-2-en-1-one; molecular conformation; nearly coplanar molecules; C-H center dot center dot center dot pi interactions; pi-pi sacking interactions
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Shrirekha N
Date Deposited: 01 Jun 2019 06:45
Last Modified: 01 Jun 2019 06:45
URI: http://eprints.uni-mysore.ac.in/id/eprint/2022

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