Very Short Intramolecular Hydrogen Bonds in the Crystal Structure of 1-Bis4-FluorophenylMethylPiperazinediium DimaleateReport as inadecuate




Very Short Intramolecular Hydrogen Bonds in the Crystal Structure of 1-Bis4-FluorophenylMethylPiperazinediium Dimaleate - Download this document for free, or read online. Document in PDF available to download.

Journal of Chemical Crystallography

, Volume 42, Issue 10, pp 1046–1051

First Online: 23 August 2012Received: 11 March 2012Accepted: 04 August 2012

AbstractThe crystal structure of 1-bis4-fluorophenylmethylpiperazine-1,4-diium dimaleate has been determined at 1301 K in order to analyze the short intramolecular hydrogen bonds in maleate anions. The salt crystallizes in the orthorhombic Pbca space group with unit-cell parameters: a = 9.71433 Å, b = 18.26683 Å, c = 27.22198 Å. The two anions display different kinds of very short intramolecular hydrogen bonds O···O distance is 2.418412 and 2.441413 Å. In one of the anions the hydrogen atom is located asymmetrically, much closer to one of the oxygen atoms than to the other, while in the other anion the hydrogen atom is almost in the middle between two oxygen atoms. These positions were confirmed by the analysis of the difference Fourier maps. The dication is protonated on both nitrogen atoms of piperazine ring which is in quite regular chair conformation, and all three N–H groups of the cation are involved in short and linear hydrogen bonds with oxygen atoms of the anions, not involved in intramolecular hydrogen bonds. These hydrogen bonds connect cations and anions into ribbons expanding along b-axis. Much weaker C–H···F, C–H···O and C–H···π interactions take part, along with the electrostatic and van der Waals interactions, in the determination of the crystal packing.

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AbstractThe two anions display different kinds of very short intramolecular hydrogen bonds: in one of them the hydrogen atom is located asymmetrically, much closer to one of the oxygen atoms than to the other, while in the other anion the hydrogen atom is almost in the middle between two oxygen atoms.Open image in new windowKeywordsFlunarizine derivatives Maleate, short hydrogen bonds Conformation Crystal packing  Download fulltext PDF



Author: A. S. Dayananda - Grzegorz Dutkiewicz - H. S. Yathirajan - B. Narayana - Maciej Kubicki

Source: https://link.springer.com/







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