McCormick Cameron A, Nguyen Vu D, Renfro Heather E, Koplitz Lynn V, Mague Joel T
Department of Physics, Loyola University, New Orleans, LA 70118, USA.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o981-2. doi: 10.1107/S1600536813014025. Print 2013 Jun 1.
The title mol-ecular salt, C7H7N2 (+)·NO3 (-), displays an inter-penetrating sheet structure parallel to a with each sheet containing nearly coplanar cations and anions, each ion being bis-ected by a crystallographic mirror plane. C-H⋯O hydrogen bonds involving both ring and methyl H atoms in addition to cation-cation C-H⋯N hydrogen bonds (ring H to cyano N) serve to link the sheets together. In each set of parallel layers, the cations and anions stack with short distances of 3.094 (2) (between aligned nitrate N and pyridine N atoms) and 3.057 (2) Å (between a nitrate O atom and the ring centroid). This motif is strikingly similar to the one that features in the isomeric salt 2-cyano-1-methyl-pyridinium nitrate.
标题分子盐C₇H₇N₂⁺·NO₃⁻呈现出与a平行的互穿片状结构，每个片层包含近乎共面的阳离子和阴离子，每个离子都被一个晶体学镜面平分。除了阳离子 - 阳离子C - H⋯N氢键（环H与氰基N）外，涉及环和甲基H原子的C - H⋯O氢键将这些片层连接在一起。在每组平行层中，阳离子和阴离子以3.094 (2) Å（在对齐的硝酸根N和吡啶N原子之间）和3.057 (2) Å（在一个硝酸根O原子和环质心之间）的短距离堆积。这种结构单元与异构体盐2 - 氰基 - 1 - 甲基吡啶硝酸盐中的结构单元惊人地相似。
