Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene
The title molecule, C22H6F8, crystallizes in the monoclinic space group P21/c with two unique molecules in the asymmetric unit and Z = 8. Each molecule features a short intramolecular sp2-C—H...F hydrogen bond with H...F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of th...
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International Union of Crystallography
2024-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024010995 |
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| author | Eric Bosch Nathan P. Bowling |
| author_facet | Eric Bosch Nathan P. Bowling |
| author_sort | Eric Bosch |
| collection | DOAJ |
| description | The title molecule, C22H6F8, crystallizes in the monoclinic space group P21/c with two unique molecules in the asymmetric unit and Z = 8. Each molecule features a short intramolecular sp2-C—H...F hydrogen bond with H...F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H...F angles of 158.3 (14) and 166.8 (14)°, respectively. Each molecule also forms an intermolecular bifurcated CH...(F)2 interaction with H...F distances ranging from 2.500 (16) to 2.597 (17) Å. |
| format | Article |
| id | doaj-art-c09c461675fd4e9d98afab65f5d465af |
| institution | OA Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-c09c461675fd4e9d98afab65f5d465af2025-08-20T02:19:08ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-12-0180121298130110.1107/S2056989024010995jy2054Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzeneEric Bosch0Nathan P. Bowling1Chemistry and Biochemistry Department, Missouri State University, 901 South National Avenue, Springfield MO 65897, USADepartment of Chemistry, University of Wisconsin-Stevens Point, 2101 Fourth Avenue, Stevens Point, WI 54481, USAThe title molecule, C22H6F8, crystallizes in the monoclinic space group P21/c with two unique molecules in the asymmetric unit and Z = 8. Each molecule features a short intramolecular sp2-C—H...F hydrogen bond with H...F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H...F angles of 158.3 (14) and 166.8 (14)°, respectively. Each molecule also forms an intermolecular bifurcated CH...(F)2 interaction with H...F distances ranging from 2.500 (16) to 2.597 (17) Å.https://journals.iucr.org/paper?S2056989024010995crystal structurec-h...f hydrogen bondingintramolecular hydrogen bonding |
| spellingShingle | Eric Bosch Nathan P. Bowling Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene Acta Crystallographica Section E: Crystallographic Communications crystal structure c-h...f hydrogen bonding intramolecular hydrogen bonding |
| title | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| title_full | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| title_fullStr | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| title_full_unstemmed | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| title_short | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| title_sort | intra and intermolecular c h f hydrogen bonds in the crystal structure of 1 2 bis 2 2 3 4 5 tetrafluorophenyl ethynyl benzene |
| topic | crystal structure c-h...f hydrogen bonding intramolecular hydrogen bonding |
| url | https://journals.iucr.org/paper?S2056989024010995 |
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