Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-chloro-3,5-dimethylphenol (1/1)
- In the crystal of the title co-crystalline adduct, C8H16N4·C8H9ClO, (I), prepared by solid-state reaction, the molecules are linked by intermolecular O—H⋯N hydrogen bonds, forming a D motif. The azaadamantane structure in (I) is slightly distorted, with N—CH2—CH2—N torsion angles of 10.4 (3) and −9.0 (3)°. These values differ slightly from the corresponding torsion angles in the free aminal cage (0.0°) and in related co-crystalline adducts, which are not far from a planar geometry and consistent with a D2d molecular symmetry in the tetraazatricyclo structure. The structures also differ in that there is a slight elongation of the N—C bond lengths about the N atom that accepts the hydrogen bond in (I) compared with the other N—C bond lengths. In the crystal, the two molecules are not only linked by a classical O—H⋯N hydrogen bond but are further connected by weak C—H⋯π interactions, forming a two-dimensional supramolecular network parallel to the bc plane.
Verfasserangaben: | Augusto RiveraORCiD, Jicli José Rojas, Jaime Ríos-MottaORCiD, Michael BolteORCiD |
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URN: | urn:nbn:de:hebis:30:3-258666 |
DOI: | https://doi.org/10.1107/S2056989015010257 |
ISSN: | 2056-9890 |
Titel des übergeordneten Werkes (Englisch): | Acta crystallographica / Section E, Crystallographic communications |
Verlag: | Munksgaard |
Verlagsort: | Copenhagen |
Dokumentart: | Wissenschaftlicher Artikel |
Sprache: | Englisch |
Datum der Veröffentlichung (online): | 03.06.2015 |
Datum der Erstveröffentlichung: | 03.06.2015 |
Veröffentlichende Institution: | Universitätsbibliothek Johann Christian Senckenberg |
Datum der Freischaltung: | 26.01.2016 |
Freies Schlagwort / Tag: | C—H⋯π interactions; TATD; co-crystalline adducts; crystal structure; hydrogen bonding |
Jahrgang: | 71 |
Seitenzahl: | 9 |
Erste Seite: | 737 |
Letzte Seite: | 740 |
Bemerkung: | This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode , which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
HeBIS-PPN: | 374279691 |
Institute: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
DDC-Klassifikation: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
Sammlungen: | Universitätspublikationen |
Lizenz (Deutsch): | Creative Commons - Namensnennung 2.0 |