1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate
نویسندگان
چکیده
The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 (2+)·4Cl(-.)H2O, consists of a 1-[bis-(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium cation with a diprotonated piperizine ring in close proximity to two chloride anions and a single water mol-ecule that lies on a twofold rotation axis. In the cation, the piperazine ring adopts a slightly distorted chair conformation. The dihedral angles between the phenyl ring and the 4-fluoro-phenyl rings are 89.3 (9) and 35.0 (5)°. The two fluoro-phenyl rings are inclined at 65.0 (5)° to one another. In the crystal, N-H⋯Cl hydrogen bonds and weak C-H⋯Cl inter-molecular inter-actions link the mol-ecules into chains along [010]. In addition, weak C-H⋯O inter-actions between the piperizine and prop-2-en-1-yl groups with the water mol-ecule, along with weak C-H⋯Cl inter-actions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C-H⋯F inter-actions between the two fluoro-phenyl groups and weak O-H⋯Cl inter-actions between the water mol-ecule and chloride ions form a three-dimensional supra-molecular network.
منابع مشابه
1-[4-(3-{[5-(4-Chlorophenyl)furan-2-yl]methylideneamino}-2,5-dioxoimidazolidin-1-yl)butyl]-4-methylpiperazine-1,4-diium dichloride hemihydrate
The title compound, C(23)H(30)ClN(5)O(3) (2+)·2Cl(-)·0.5H(2)O, was synthesized by N-alkyl-ation of 1-({[5-(4-chloro-phen-yl)-2-furan-yl]methyl-ene}amino)-2,4-imidazolidinedione with 1-bromo-4-chloro-butane, and N-methyl-piperazine. In the crystal, the cations, anions and water mol-ecules are linked by O-H⋯Cl and N-H⋯Cl hydrogen bonds.
متن کامل(E)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-fluorophenyl)prop-2-en-1-one
In the title compound, C(28)H(29)FN(2)O(3), the conformation about the ethene bond is E. The piperazine ring adopts a chair conformation. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds.
متن کامل4-[Bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium 3-carboxypropanoate
In the title salt, C(26)H(27)F(2)N(2) (+)·C(4)H(5)O(4) (-), the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O-H⋯O hydrogen bonds between the carb-oxy-lic acid and carboxyl-ate groups into undulating chains extending along [001] and the flunarizinium monocations...
متن کاملOpipramol dihydrochloride
THE TITLE COMPOUND (SYSTEMATIC NAME 4-{3-[2-aza-tricyclo-[9.4.0.0(3,8)]penta-deca-1(15),3,5,7,11,13-hexaen-2-yl]prop-yl}-1-(2-hy-droxy-eth-yl)piperazine-1,4-diium dichloride), C(23)H(31)N(3)O(+)·2Cl(-), is the dihydro-chloride of a piperazine derivative bearing a bulky 3-(5H-dibenz[b,f]azepin-5-yl)propyl substituent. Protonation took place on both N atoms of the piperazine unit. The diaza-cyclo...
متن کامل(E)-1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-ethoxyphenyl)prop-2-en-1-one
In the title mol-ecule, C(28)H(28)F(2)N(2)O(2), the ethene bond exhibits an E conformation and the piperazine ring adopts a chair conformation. The amide-N atom of the piperazine ring is almost planar (bond-angle sum = 358.8°) whereas the other N atom is clearly pyramidal (bond-angle sum = 330.5°). The dihedral angle between the fluoro-benzene rings is 76.36 (17)°. In the crystal, inversion dim...
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عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014