Sowmya Haliwana B V, Suresha Kumara Tholappanavara H, Jasinski Jerry P, Millikan Sean P, Glidewell Christopher
PG Department of Chemistry, Jain University, 52 Bellary Road, Hebbal, Bangalore 560 024, India.
University B.D.T. College of Engineering (a Constituent College of VTU, Belgaum), Davanagere 577 004, India.
Acta Crystallogr E Crystallogr Commun. 2015 Apr 30;71(Pt 5):o362-3. doi: 10.1107/S2056989015007823. eCollection 2015 May 1.
The title compound, C12H10FN3, is approximately planar: the dihedral angles between the mean plane of the central N-N=C spacer unit and the fluoro-benzene and pyridine rings are 14.50 (13) and 4.85 (15)°, respectively, while the dihedral angle between the aromatic rings is 16.29 (6)°. The F atom lies at the same side of the mol-ecule as the N atom of the pyridine ring. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)(8) loops. Mol-ecules related by translation in the a direction are linked by two π-π stacking inter-actions involving pairs of benzene rings and pairs of pyridine rings. In each case, the ring-centroid separation is 3.8517 (9) Å. Two chains of this type pass through each unit cell, but there are no direction-specific inter-actions between adjacent chains.
标题化合物C₁₂H₁₀FN₃近似呈平面状：中心N-N=C间隔单元的平均平面与氟苯环和吡啶环之间的二面角分别为14.50 (13)°和4.85 (15)°，而芳香环之间的二面角为16.29 (6)°。F原子与吡啶环的N原子位于分子的同一侧。在晶体中，通过N-H⋯N氢键对连接的反演二聚体形成R₂²(8)环。沿a方向通过平移相关的分子通过涉及苯环对和吡啶环对的两个π-π堆积相互作用相连。在每种情况下，环心间距为3.8517 (9) Å。这种类型的两条链穿过每个晶胞，但相邻链之间不存在特定方向的相互作用。
