Schmitt Laurette, Stoeckli-Evans Helen
Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 1;70(Pt 9):o893-4. doi: 10.1107/S1600536814009544. eCollection 2014 Sep 1.
The heterocyclic molecule in the title solvate, C16H14N4·2CHCl3, possesses inversion symmetry, with the inversion centre situated at the centre of the pyrazine ring. The outer pyridine rings are inclined to the central pyrazine ring by 4.89 (9)°. The compound crystallized as a chloro-form disolvate with the solvent mol-ecules linked to the title mol-ecule by C-H⋯N hydrogen bonds. In the crystal, mol-ecules are further linked by π-π inter-actions involving the pyrazine and pyridine rings of neighbouring mol-ecules [inter-centroid distance = 3.5629 (12) Å; symmetry code: x, y + 1, z + 1].
标题溶剂化物C16H14N4·2CHCl3中的杂环分子具有反演对称性,反演中心位于吡嗪环的中心。外侧的吡啶环与中心吡嗪环的夹角为4.89 (9)°。该化合物以氯仿二溶剂化物形式结晶,溶剂分子通过C—H⋯N氢键与标题分子相连。在晶体中,分子通过涉及相邻分子的吡嗪环和吡啶环的π-π相互作用进一步相连[质心间距 = 3.5629 (12) Å;对称代码:x, y + 1, z + 1]。