TY  - JOUR
A1  - Bats, Jan W.
A1  - Schell, Peter
A1  - Engels, Joachim W.
T1  - 5-[(1R,2R,4R)-2-Meth­­oxy-1,7,7-tri­methylbi­cyclo­[2.2.1]hept-2-yl]-1H-tetra­zole
T2  - Acta crystallographica. Section E, Structure reports online
N2  - 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).
Y1  - 2013
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/39290
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-392907
SN  - 1600-5368
N1  - 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.
VL  - 69
IS  - o1028
PB  - International Union of Crystallography
CY  - Chester
ER  -