The molecular and solid‐state structure of borazine has been determined at 115 and 160 K by single‐crystal X‐ray crystallography. The molecular structure has  C  2  symmetry with small deviations from the expected  D  3 h   symmetry. The mean value of the BN bond length is 1.429(1) A and the interbond angles of the six‐membered ring are 117.1(1)° at the boron atoms and 122.9(1)° at the nitrogen atoms (mean values). Similar to benzene an unambiguous assignment of the molecular symmetry is not possible. — The crystal packing is not comparable to any known phase of benzene, and surprisingly the molecules are not stacked having coplanar rings. Instead, the molecules are found in tilted layers. No significant intermolecular interaction could be detected. The generated difference electron density maps show the typical distribution pattern for polar bonds. | Zendy

Boese Roland | Zendy; Maulitz Andreas H. | Zendy; Stellberg Peter | Zendy

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The molecular and solid‐state structure of borazine has been determined at 115 and 160 K by single‐crystal X‐ray crystallography. The molecular structure has C 2 symmetry with small deviations from the expected D 3 h symmetry. The mean value of the BN bond length is 1.429(1) A and the interbond angles of the six‐membered ring are 117.1(1)° at the boron atoms and 122.9(1)° at the nitrogen atoms (mean values). Similar to benzene an unambiguous assignment of the molecular symmetry is not possible. — The crystal packing is not comparable to any known phase of benzene, and surprisingly the molecules are not stacked having coplanar rings. Instead, the molecules are found in tilted layers. No significant intermolecular interaction could be detected. The generated difference electron density maps show the typical distribution pattern for polar bonds.

Author(s) -

Boese Roland,

Maulitz Andreas H.,

Stellberg Peter

Publication year - 1994

Publication title -

chemische berichte

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.667

H-Index - 136

eISSN - 1099-0682

pISSN - 0009-2940

DOI - 10.1002/cber.19941271011

Subject(s) - borazine , chemistry , crystallography , solid state , crystal structure , x ray crystallography , molecule , stereochemistry , diffraction , organic chemistry , physics , boron nitride , optics

Borazin im festen Zustand: Verdient es, als “anorganisches Benzol” bezeichnet zu werden?

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