Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis-(4-toluene-sulfonate) dihydrate

Kavitha, C. N. and Yathirajan, H. S. and Kaur, M. and Hosten, E. C. and Betz, Richard and Glidewell, Christopher (2014) Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis-(4-toluene-sulfonate) dihydrate. Acta Crystallographica Section C: Structural Chemistry, 70 (8). pp. 805-811. ISSN 2053-2296

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Abstract

The structures of two salts of flunarizine, namely 1-bis-(4-fluoro-phenyl) methyl-4-(2E)-3-phenyl-prop-2-en-1-ylpiperazine, C26H26F2N2, are reported. In flunarizinium nicotinate systematic name: 4-bis-(4-fluoro-phenyl)methyl-1- (2E)-3-phenyl-prop-2-en-1-ylpiperazin-1-ium pyridine-3-carboxyl-ate, C26H27F2N2 +·C6H4NO2 -, (I), the two ionic components are linked by a short charge-assisted N - H�O hydrogen bond. The ion pairs are linked into a three-dimensional framework structure by three independent C - H�O hydrogen bonds, augmented by C - H��(arene) hydrogen bonds and an aromatic �-� stacking inter-action. In flun-arizine-diium bis-(4-toluene-sulfonate) dihydrate systematic name: 1-bis-(4-fluoro-phenyl)methyl-4-(2E)-3-phenyl-prop-2-en-1-ylpiperazine-1, 4-diium bis-(4-methyl-benzene-sulfonate) dihydrate, C26H28F2N2 2+·2C7H7O3S-·2H2O, (II), one of the anions is disordered over two sites with occupancies of 0.832 (6) and 0.168 (6). The five independent components are linked into ribbons by two independent N - H�O hydrogen bonds and four independent O - H�O hydrogen bonds, and these ribbons are linked to form a three-dimensional framework by two independent C - H�O hydrogen bonds, but C - H��(arene) hydrogen bonds and aromatic �-� stacking inter-actions are absent from the structure of (II). Comparisons are made with some related structures.

Item Type:	Article
Uncontrolled Keywords:	Crystal structure, Hydrogen bonds, chemical structure, chemistry, Molecular Structure, pyridine derivative, Pyridines, Aromatic compounds, crystal structure, Crystallography, hydrogen bond, Hydrogen Bonding, X ray crystallography, X-Ray, article, piperazine derivative, Piperazines, hydrogen bonding, Ion pairs, 1 (bis(4 fluorophenyl)methyl) 4 ((2E) 3 phenylprop 2 en 1 yl)piperazine 1, 1 bis((4 fluorophenyl)methyl) 4 ((2E) 3 phenylprop 2 en 1 yl)piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2E)-3-phenylprop-2-en-1-yl)piperazine-1, 1-bis((4-fluorophenyl)methyl)-4-((2E)-3-phenylprop-2-en-1-yl)piperazine, 4 bis((4 fluorophenyl)methyl) 1 ((2E) 3 phenylprop 2 en 1 yl)piperazin 1 ium pyridine 3 carboxylate, 4 diium bis(4 methylbenzenesulfonate) dihydrate, 4-bis((4-fluorophenyl)methyl)-1-((2E)-3-phenylprop-2-en-1-yl)piperazin-1-ium pyridine-3-carboxylate, 4-diium bis(4-methylbenzenesulfonate) dihydrate, Calcium channels, calcium-channel blocker, Dihydrates, flunarizinediium salt, flunarizinium salt, Framework structures, Independent components, Ionic component, Niacin, nicotinic acid, Three-dimensional frameworks, Toluene, �-� stacking
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Arshiya Kousar Library Assistant
Date Deposited:	25 Jun 2019 05:47
Last Modified:	21 Jul 2022 10:18
URI:	http://eprints.uni-mysore.ac.in/id/eprint/3732

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