Hussain Abid, Tahir M Nawaz, Shafiq Zahid, Yaqub Muhammad, Mazhar Muhammad
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1881. doi: 10.1107/S1600536810025341.
In the title compound, C(12)H(12)N(4)O, the pyridine and pyrrole rings are inclined at an angle of 29.22 (8)° and an intra-molecular C-H⋯N inter-action geneates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C-H⋯O inter-actions, which generate R(2) (2)(18) ring motifs within an infinite sheet. Finally, two C-H⋯π inter-actions are present, where the C-H groups are from the pyridine ring and π is the pyrrole ring.
在标题化合物C₁₂H₁₂N₄O中,吡啶环和吡咯环的夹角为29.22(8)°,分子内C—H⋯N相互作用形成一个S(6)环。在晶体中,分子通过N—H⋯N氢键相连,形成(010)C₇链。这些链通过弱C—H⋯O相互作用交联,在无限延伸的平面内形成R₂²(18)环模式。最后,存在两种C—H⋯π相互作用,其中C—H基团来自吡啶环,π为吡咯环。