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Abstract
In the title compound, C10H11N2 +·PF6 −·C10H10N2, the H atom involved in protonation is disordered equally between the cation and the neutral molecule. The dihedral angle between the phenyl and imidazole rings is 82.6 (2)°. In the crystal structure, there are head-to-tail π–π stacking interactions between imidazole rings; the interplanar separation is 3.295 (1) Å and the centroid–centroid separation is 3.448 (3) Å. In the centrosymmetric anion, two F atoms are disordered over two positions; the refined site-occupancy factors are 0.855 (11) and 0.145 (11).
Highlights
Key Laboratory of Molecular Structure and Materials Performance, College of Chemistry and Life Science, Tianjin Normal University, Tianjin 300387, People’s
C10H11N2 PF6 C10H10N2, the H atom involved in protonation is disordered between the cation and the neutral molecule
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Key Laboratory of Molecular Structure and Materials Performance, College of Chemistry and Life Science, Tianjin Normal University, Tianjin 300387, People’s. Republic of China, and bState Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, People’s Republic of China. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 Å; disorder in solvent or counterion; R factor = 0.037; wR factor = 0.117; data-toparameter ratio = 11.2. C10H11N2 PF6 C10H10N2, the H atom involved in protonation is disordered between the cation and the neutral molecule. There are head-to-tail – stacking interactions between imidazole rings; the interplanar separation is. Two F atoms are disordered over two positions; the refined site-occupancy factors are 0.855 (11) and 0.145 (11). Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL
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