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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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2024-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989024010995 |
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| Summary: | 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. |
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| ISSN: | 2056-9890 |