(E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one
The title chalcone derivative, C15H10F2O, is almost planar, with the benzene ring being inclined to the phenyl ring by 7.45 (9)°. The conformation about the C=C bond is E. In the crystal, molecules are linked by two pairs of C—H...F hydrogen bonds, forming inversion dimers enclosing R22(8) and R21(1...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-08-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616012955 |
| _version_ | 1818207484531179520 |
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| author | Leonardo Santos de Barros Maria Clara Ramalho Freitas Vinícius Rangel Campos Francisco Assis da Silva José Carlos Netto-Ferreira Darí Cesarin-Sobrinho |
| author_facet | Leonardo Santos de Barros Maria Clara Ramalho Freitas Vinícius Rangel Campos Francisco Assis da Silva José Carlos Netto-Ferreira Darí Cesarin-Sobrinho |
| author_sort | Leonardo Santos de Barros |
| collection | DOAJ |
| description | The title chalcone derivative, C15H10F2O, is almost planar, with the benzene ring being inclined to the phenyl ring by 7.45 (9)°. The conformation about the C=C bond is E. In the crystal, molecules are linked by two pairs of C—H...F hydrogen bonds, forming inversion dimers enclosing R22(8) and R21(10) ring motifs. The dimers stack along the a axis with the separation of the C=C bonds being 4.2926 (4) Å. |
| first_indexed | 2024-12-12T04:29:39Z |
| format | Article |
| id | doaj.art-c3d2fb21d70d4cd1b06a5650db12f01b |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-12T04:29:39Z |
| publishDate | 2016-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-c3d2fb21d70d4cd1b06a5650db12f01b2022-12-22T00:38:08ZengInternational Union of CrystallographyIUCrData2414-31462016-08-0118x16129510.1107/S2414314616012955su4068(E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-oneLeonardo Santos de Barros0Maria Clara Ramalho Freitas1Vinícius Rangel Campos2Francisco Assis da Silva3José Carlos Netto-Ferreira4Darí Cesarin-Sobrinho5Departamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, 23851-970 Seropédica, RJ, BrazilUniversidade Federal Fluminense, Instituto de Física, Lab LDRX-UFF, 24210-346 Niterói, RJ, BrazilUniversidade Federal Fluminense, Departamento de Química Orgânica, Programa de Pós-Graduação em Química, 24020-141 Niterói, RJ, BrazilDepartamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, 23851-970 Seropédica, RJ, BrazilDivisão de Metrologia Química, LAMOC, Instituto Nacional de Metrologia, Qualidade e Tecnologia, INMETRO, Av. N. Sra. das Graças, 50, 25250-020 Duque de Caxias, RJ, BrazilDepartamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, 23851-970 Seropédica, RJ, BrazilThe title chalcone derivative, C15H10F2O, is almost planar, with the benzene ring being inclined to the phenyl ring by 7.45 (9)°. The conformation about the C=C bond is E. In the crystal, molecules are linked by two pairs of C—H...F hydrogen bonds, forming inversion dimers enclosing R22(8) and R21(10) ring motifs. The dimers stack along the a axis with the separation of the C=C bonds being 4.2926 (4) Å.http://scripts.iucr.org/cgi-bin/paper?S2414314616012955crystal structurechalcone[2 + 2] cycloaddition reactionsC—H...F hydrogen bondsinversion dimers |
| spellingShingle | Leonardo Santos de Barros Maria Clara Ramalho Freitas Vinícius Rangel Campos Francisco Assis da Silva José Carlos Netto-Ferreira Darí Cesarin-Sobrinho (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one IUCrData crystal structure chalcone [2 + 2] cycloaddition reactions C—H...F hydrogen bonds inversion dimers |
| title | (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one |
| title_full | (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one |
| title_fullStr | (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one |
| title_full_unstemmed | (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one |
| title_short | (E)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one |
| title_sort | e 3 2 5 difluorophenyl 1 phenylprop 2 en 1 one |
| topic | crystal structure chalcone [2 + 2] cycloaddition reactions C—H...F hydrogen bonds inversion dimers |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616012955 |
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