Abstract
The crystal structure and electronic charge distribution of pyrazine (1,4-diazabenzene) has been determined at 184 K by X-ray methods. The structural results of Wheatley [Acta Cryst. (1957), 10, 182-187] have been confirmed. A clear indication of bonding effects is obtained. Neither positional and thermal parameters nor difference-Fourier maps are affected by extinction. The effect of thermal diffuse scattering (TDS) on positional parameters is also negligible. However, after correction for TDS, thermal parameters increase significantly. The difference-Fourier map is influenced by TDS as well as the inclusion of high-order Fourier terms.
Original language | Undefined |
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Pages (from-to) | 3178-3185 |
Journal | Acta Crystallographica Section B: Structural crystallography and crystal chemistry |
Volume | 32 |
Issue number | 12 |
DOIs | |
Publication status | Published - 1976 |
Keywords
- IR-59136