Boese, Roland; Maulitz, Andreas H.; Stellberg, Peter:

Solid-state borazine: does it deserve to be entitled \"inorganic benzene\"?

In: Chemische Berichte (Chem.Ber.), Jg. 127 (1994) ; Nr. 10, S. 1887-1889
ISSN: 0009-2940
Zeitschriftenaufsatz / Fach: Chemie
The mol. and solid-state structure of borazine was detd. at 115 and 160 K by single-crystal x-ray crystallog. The mol. structure has C2 symmetry with small deviations from the expected D3h symmetry. The mean value of the BN bond length is 1.429(1) .ANG. and the interbond angles of the six-membered ring are 117.1(1) Deg at the B atoms and 122.9(1) Deg at the N atoms (mean values). Similar to benzene an unambiguous assignment of the mol. symmetry is not possible. The crystal packing is not comparable to any known phase of benzene, and surprisingly the mols. are not stacked having coplanar rings. Instead, the mols. are found in tilted layers. No significant intermol. interaction could be detected. The generated difference electron d. maps show the typical distribution pattern for polar bonds.