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
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).
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Metadaten
Author:Jan W. Bats, Peter Schell, Joachim W. Engels
URN:urn:nbn:de:hebis:30:3-392907
DOI:http://dx.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
Pagenumber: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 und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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