First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methylphenol (TBMP) with 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD) via coupling of classical hydrogen bonds and C—H...π non-covalent interactions
- The title compound, C8H16N4·2C11H16O, was synthesized from the corresponding sterically crowded phenol by treatment with the aminal cage polyamine. Single-crystal X-ray diffraction structural analysis revealed the three-molecule aggregate to crystallize in the monoclinic space group P2/c with one half of a 1,3,6,8-tetraaztricyclo[4.4.1.13,8]dodecane (TATD) molecule and one 2-tert-butyl-4-methylphenol molecule per asymmetric unit. The crystal structure features intermolecular O—H...N and C—H...O hydrogen bonds, as well as intermolecular C—H...π interactions.
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| Author: | Augusto RiveraORCiD, Jaime Ríos-MottaORCiD, Michael BolteORCiD |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-757770 |
| DOI: | https://doi.org/10.1107/S2056989022004972 |
| ISSN: | 2056-9890 |
| Parent Title (English): | Acta Crystallographica. Section E, Crystallographic communications |
| Publisher: | International Union of Crystallography |
| Place of publication: | Chester |
| Document Type: | Article |
| Language: | English |
| Year of Completion: | 2022 |
| Year of first Publication: | 2022 |
| Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2023/09/20 |
| Tag: | C-H...[pi] interactions; TATD; TBMP; co-crystalline adduct; crystal structure; hydrogen bonding |
| Volume: | 78 |
| Issue: | 6 |
| Page Number: | 9 |
| First Page: | 599 |
| Last Page: | 602 |
| HeBIS-PPN: | 513119434 |
| Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - CC BY - Namensnennung 4.0 International |
