MOLECULAR STRUCTURE OF DIMETHYLCYCLOTETRAZENOBORANE, (CH3)2N4BH

The structure of (CH3)2N4BH in the gas phase has been verified to be [formula ommited] Although the electron diffraction patterns are not uniquely interpretable in terms of a planar structure, the acceptance of a planar conformation is supported by the observed magnitudes of the bonded distances and by theoretical arguments based on the electron-rich character of the four N atoms in the ring. The bond lengths and bond angles determined by leastsquares fitting of the intensity data are: B—N = 1.413 ± 0.010 Å, N—N = 1.375 ± 0.005 Å, N═N = 1.291 ± 0.006 Å, N—C = 1.454 ± 0.009 Å, B—N = 1.195 Å (assumed), C—H = 1.096 ± 0.010 Å, ∠ NBN = 101.8 ± 0.6°, and ∠ CNN = 115.8 ± 0.3°. These values suggest the presence of extensive delocalization of the π electrons in the N4B ring. © 1969, American Chemical Society. All rights reserved.