5-[(1R,2R,4R)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1H-tetrazole
- The title compound, C12H20N4O, undergoes a phase transition on cooling. The room-temperature structure is tetragonal (P43212, Z′ = 1), with the methoxybornyl group being extremely disordered. Below 213 K the structure is orthorhombic (P212121, Z′ = 2), with ordered molecules. The two independent molecules (A and B) have very similar conformations; significant differences only occur for the torsion angles about the Cbornyl—Ctetrazole bonds. The independent molecules are approximately related by the pseudo-symmetry relation: xB = −1/4 + yA, yB = 3/4 - xA and zB = 1/4 + zA. In the crystal, molecules are connected by N—H⋯N hydrogen bonds between the tetrazole groups, forming a pseudo-43 helix parallel to the c-axis direction. The crystal studied was a merohedral twin with a refined twin fraction value of 0.231 (2).
| Author: | Jan W. Bats, Peter Schell, Joachim W. EngelsORCiDGND |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-392907 |
| DOI: | https://doi.org/10.1107/S1600536813014700 |
| ISSN: | 1600-5368 |
| Parent Title (German): | Acta crystallographica. Section E, Structure reports online |
| Publisher: | International Union of Crystallography |
| Place of publication: | Chester |
| Document Type: | Article |
| Language: | English |
| Date of Publication (online): | 2013/06/08 |
| Date of first Publication: | 2013/06/08 |
| Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2016/02/01 |
| Volume: | 69 |
| Issue: | o1028 |
| Page Number: | 12 |
| Note: | 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: | 377896454 |
| 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 - Namensnennung 2.0 |
