Jp. Naskar et al., THE CRYSTAL-STRUCTURE OF ,3-DIHYDRO-2,2,4-TRIMETHYL-1H-1,5-BENZODIAZEPINIUM PERCHLORATE, Zeitschrift fur Kristallographie, 213(2), 1998, pp. 112-114
C12H16N2 . HClO4 crystallizes monoclinically, space group P2(1), Z = 2
(n = 7.775(3) Angstrom, b = 10.697(2) Angstrom, c = 9.087(2) Angstrom
, beta = 112.77(3)degrees, R = 0.052 for 1061 observed reflections wit
h I > 2 sigma(I)). The proton is found to be on the imino nitrogen. Th
e conformation of the 7-membered heterocyclic ring, with four of the s
even angles close to that of a regular heptagon, is found to be somewh
at like that of cyclohepta-1,3,5-triene bound to a metal in eta(6) mod
e.