The crystal structure of 2,3-dihydro-2,2,4-trimethyl-1H-1,5-benzodiazepinium perchlorate

Naskar, J. P. ; Hati, S. ; Datta, D. ; Samanta, U. ; Chakrabarti, P. (1998) The crystal structure of 2,3-dihydro-2,2,4-trimethyl-1H-1,5-benzodiazepinium perchlorate Zeitschrift für Kristallographie, 213 (2). pp. 112-114. ISSN 0044-2968

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Official URL: http://www.oldenbourg-link.com/doi/abs/10.1524/zkr...

Related URL: http://dx.doi.org/10.1524/zkri.1998.213.2.112

Abstract

C12H16N2 · HClO4 crystallizes monoclinically, space group P21, Z = 2 (a = 7.775(3) Å, b = 10.697(2) Å, c = 9.087(2) Å, β = 112.77(3)°, R = 0.052 for 1061 observed reflections with I > 2σ (I)). The proton is found to be on the imino nitrogen. The conformation of the 7-membered heterocyclic ring, with four of the seven angles close to that of a regular heptagon, is found to be somewhat like that of cyclohepta-1,3,5-triene bound to a metal in η6 mode.

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