title: 5-[(1R,2R,4R)-2-Meth-oxy-1,7,7-tri-methylbi-cyclo-[2.2.1]hept-2-yl]-1H-tetra-zole.
abstract: The title compound, C12H20N4O, undergoes a phase transition on cooling. The room-temperature structure is tetra-gonal (P43212, Z' = 1), with the meth-oxy-bornyl group being extremely disordered. Below 213 K the structure is ortho-rhom-bic (P212121, Z' = 2), with ordered mol-ecules. The two independent mol-ecules (A and B) have very similar conformations; significant differences only occur for the torsion angles about the Cborn-yl-Ctetra-zole bonds. The independent mol-ecules are approximately related by the pseudo-symmetry relation: xB = -1/4 + yA , yB = 3/4 - xA and zB = 1/4 + zA . In the crystal, mol-ecules are connected by N-H⋯N hydrogen bonds between the tetra-zole 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).
authors.affiliation: Institut für Organische Chemie und Chemische Biologie, Universität Frankfurt, Max-von-Laue-Strasse 7, D-60438 Frankfurt am Main, Germany.
authors.forename: Jan W
authors.initials: JW
authors.lastname: Bats
authors.forename: Peter
authors.initials: P
authors.lastname: Schell
authors.forename: Joachim W
authors.initials: JW
authors.lastname: Engels
references.citation: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references.pmid: 18156677