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, Vasant S. and Shettigar, Venkataraya and Berglin, T. S. and Coburn, Jillian S. and Jasinski, Jerry 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, 71 (8). pp. 965-971. ISSN 2056-9890

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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.

Item Type: Article
Uncontrolled Keywords: crystal structure, bromothiophene, methoxyphenylprop-2-en-1-one, molecular conformation, nearly coplanar molecules, C-H...pi interactions, pi-pi sacking interactions
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 02 Nov 2019 09:52
Last Modified: 16 Jun 2022 11:37

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