Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018012173 |
| _version_ | 1819109186152169472 |
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| author | N. R. Sreenatha B. N. Lakshminarayana D. P. Ganesha C. R. Gnanendra |
| author_facet | N. R. Sreenatha B. N. Lakshminarayana D. P. Ganesha C. R. Gnanendra |
| author_sort | N. R. Sreenatha |
| collection | DOAJ |
| description | The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R12(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis. |
| first_indexed | 2024-12-22T03:21:49Z |
| format | Article |
| id | doaj.art-33c98bd91c4a4ea5856ab0457133cbb2 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-22T03:21:49Z |
| publishDate | 2018-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-33c98bd91c4a4ea5856ab0457133cbb22022-12-21T18:40:42ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-10-0174101451145410.1107/S2056989018012173qm2127Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-oneN. R. Sreenatha0B. N. Lakshminarayana1D. P. Ganesha2C. R. Gnanendra3Department of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Chemistry, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaThe title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R12(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis.http://scripts.iucr.org/cgi-bin/paper?S2056989018012173crystal structurechalconesfuranhydrogen bondingHirshfeld surfacesfingerprint plots |
| spellingShingle | N. R. Sreenatha B. N. Lakshminarayana D. P. Ganesha C. R. Gnanendra Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one Acta Crystallographica Section E: Crystallographic Communications crystal structure chalcones furan hydrogen bonding Hirshfeld surfaces fingerprint plots |
| title | Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| title_sort | crystal structure and hirshfeld surface analysis of e 1 3 5 dichloro 2 hydroxyphenyl 3 5 methylfuran 2 yl prop 2 en 1 one |
| topic | crystal structure chalcones furan hydrogen bonding Hirshfeld surfaces fingerprint plots |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018012173 |
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