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
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-...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015013420 |
| _version_ | 1819002896139681792 |
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| author | Vasant S. Naik Venkataraya Shettigar Tyler S. Berglin Jillian S. Coburn Jerry P. Jasinski Hemmige S. Yathirajan |
| author_facet | Vasant S. Naik Venkataraya Shettigar Tyler S. Berglin Jillian S. Coburn Jerry P. Jasinski Hemmige S. Yathirajan |
| author_sort | Vasant S. Naik |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-20T23:12:23Z |
| format | Article |
| id | doaj.art-5b2304e51a1840f9b0bb0d57dec2ae77 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T23:12:23Z |
| publishDate | 2015-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-5b2304e51a1840f9b0bb0d57dec2ae772022-12-21T19:23:42ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-08-0171896597110.1107/S2056989015013420hg5448Crystal 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-oneVasant S. Naik0Venkataraya Shettigar1Tyler S. Berglin2Jillian S. Coburn3Jerry P. Jasinski4Hemmige S. Yathirajan5Department of Physics, Government First Grade College, Kumta 581 343, India, Research and Development Centre, Bharathiar University, Coimbatore 641 046, IndiaDepartment of Physics, Gokhale Centenary College, Ankola 581 314, India, Research and Development Centre, Bharathiar University, Coimbatore 641 046, IndiaDepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru 570 006, IndiaIn 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015013420crystal structurebromothiophenemethoxyphenylprop-2-en-1-onemolecular conformationnearly coplanar moleculesC—H...π interactionsπ–π sacking interactions |
| spellingShingle | Vasant S. Naik Venkataraya Shettigar Tyler S. Berglin Jillian S. Coburn Jerry P. Jasinski Hemmige S. Yathirajan 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 crystal structure bromothiophene methoxyphenylprop-2-en-1-one molecular conformation nearly coplanar molecules C—H...π interactions π–π sacking interactions |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | crystal structure bromothiophene methoxyphenylprop-2-en-1-one molecular conformation nearly coplanar molecules C—H...π interactions π–π sacking interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015013420 |
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