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Crystal structure of 4-methylpyridinium 2,4-dinitrophenolate
Authors:Zhi Min Jin  Ji Zhong Yan  Ya Ping LÜ  Ling He  Nan Sun
Institution:(1) College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou, 310014, People's Republic of China;(2) Department of Chemistry, Zhejiang University, Hangzhou, 310027, People's Republic of China
Abstract:A crystalline salt of 4-methylpyridinium 2,4-dinitrophenolate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P21/c with a = 9.105(2), b = 7.617(2), c = 18.424(3) Å, agr = 90.00, beta = 101.19(1), gamma = 90.00°, V = 1253.5(5) Å3, and Z = 4. In the title salt, the phenolate and pyridinium ion are held by bifurcated hydrogen bonds of N–H···O, and are arranged in an almost coplanar manner to each other due to two sets of CHO hydrogen bonds. The geometrical arrangement in the title salt is characterized by the formation of herringbone motif of 4-methylpyridinium 2,4-dinitrophenolate. The herringbone motif is stablized by CHO hydrogen bonds. The face-to-face interval between the phenolate and pyridinium ring is 3.3094 Å, in a range governed by pgrpgr interaction.
Keywords:2  4-dinitrophenol  4-methylpyridine  bifurcated hydrogen bonding  CHO hydrogen bond  pgr–" target="_blank">gif" alt="pgr" align="BASELINE" BORDER="0">–  pgr interaction" target="_blank">gif" alt="pgr" align="BASELINE" BORDER="0"> interaction
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