Acta Crystallographica Section B

Structural Science

Volume 56, Part 4 (August 2000)

research papers

Acta Cryst. (2000). B56, 677-681 [ doi:10.1107/S0108768199016547 ]

Determining the crystal structure of twinned 2-methylpyrazine

R. Boese, A. Gehrke, M. Kapon and F. H. Herbstein

Abstract: Although systematic absences and symmetry relations among reflections pointed to space group I4₁22 (one molecule in the asymmetric unit), a direct methods solution could only be obtained in I4 (two molecules in the asymmetric unit). Refinement in I4 was unsatisfactory until merohedral twinning was taken into account. The resulting molecular dimensions are in excellent agreement with analogous values in the literature. The molecular arrangement is described.

Keywords: 2-Methylpyrazine; Twinning; Merohedral.