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1-Isopropyl-4-tosyl-piperazin-1-ium trifluoro-acetate.

ABSTRACT: In the title compound, C(14)H(23)N(2)O(2)S(+)·C(2)F(3)O(2) (-), the piperazine ring adopts a chair conformation. The crystal packing is stabilized by C-H⋯O and N-H⋯O hydrogen bonds between the cation and anion. The F atoms are disordered over two positions; the site occupancy factors are 0.55 (2) and 0.45 (2).

SUBMITTER: Li JS

PROVIDER: S-EPMC2914984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(2-Fluoro-benzo-yl)-1-[2-(4-hy-droxy-phen-yl)-2-oxoeth-yl]piperazin-1-ium trifluoro-acetate.

Project description:In the crystal structure of the title compound, C(19)H(20)FN(2)O(3) (+)·C(2)F(3)O(2) (-), N-H?O and O-H?O hydrogen bonds link two cations and two anions into a 22-atom ring. These rings are further linked into a three dimensional network by weak C-H?O contacts.

| S-EPMC3515321 | biostudies-literature

4-(4-Methyl-phenyl-sulfon-yl)piperazin-1-ium tri-fluoro-acetate.

Project description:In the title salt, C11H17N2O2S(+)·CF3COO(-), the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N-H⋯O hydrogen bonds into chains extending along [101]. The chains are further assembled into (10-1) layers via stacking inter-actions between benzene rings of the cations [centroid-centroid distance = 3.7319 (13) Å] and a C-H⋯O inter-action involving a piperazine C-H group and a sulfonyl O atom. Another C-H⋯O inter-action between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network.

| S-EPMC3770385 | biostudies-literature

Crystal-structure studies of 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12-hydrate.

Project description:In this study, four new piperazinium salts, namely, 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, C9H9O3·C10H15N2·H2O (I); 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, C10H15N2·C8H7O3·H2O (II); 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate, C10H15N2·C8H7O2·H2O (III); and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12 hydrate, C10H15N2·C2F3O2·0.12H2O (IV), have been synthesized. The single-crystal structures of these compounds reveal that all of them crystallize in the triclinic P space group and the crystal packing of (I)-(III) is built up of ribbons formed by a combination of hydrogen bonds of type N-H⋯O, O-H⋯O and other weak inter-actions of type C-H⋯O and C-H⋯π, leading to a three-dimensional network. In the crystal of (IV), the cations and the anions are connected by C-H⋯O, N-H⋯O and C-H⋯F hydrogen bonds and by C-H⋯π inter-actions, forming sheets which in turn inter-act to maintain the crystal structure by linking through the oxygen atoms of water mol-ecules and van der Waals inter-actions, giving the whole structure.

| S-EPMC9260359 | biostudies-literature

Syntheses, crystal structures and Hirshfeld surface analysis of 4-(4-nitro-phen-yl)piperazin-1-ium tri-fluoro-acetate and 4-(4-nitro-phen-yl)piperazin-1-ium tri-chloro-acetate.

Project description:The synthesis and crystal structures of the mol-ecular salts of 4-(4-nitro-phen-yl)piperazine with tri-fluoro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-fluoro-acetate, C10H14N3O2 +·C2F3O2 - (I), and with tri-chloro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-chloro-acetate, C10H14N3O2 +·C2Cl3O2 -, (II), are reported and compared. A partial positional disorder of the anions was found. In both structures, the piperazine rings adopt a chair conformation, whereas the positions of the nitro-phenyl group on the piperazine ring differ from bis-ectional in (I) to equatorial in (II). In both structures, the supra-molecular assemblies are mono-periodic on the basis of the chain-of-rings motifs supported by aromatic π-π inter-actions. Hirshfeld surface analysis was used to explore the inter-molecular close contacts in both crystals. The most dominant contacts of the Hirshfeld surface of the cation-anion pairs of the asymmetric units are O⋯H/H⋯O, and those with a contribution of halogen atoms: F⋯H/H⋯F in (I) and Cl⋯H/H⋯Cl in (II), respectively.

| S-EPMC9815140 | biostudies-literature

Crystal structures of 4-phenyl-piperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenyl-piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide.

Project description:The title mol-ecular salts, C10H15N2 (+)·C6H6ClN2O2 (-), (I), and C10H15N2 (+)·C7H8ClN2O2 (-), (II), consist of 4-phenyl-piperazin-1-ium cations with a 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide anion in (I) and a 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide anion in (II). Salt (I) crystallizes with two independent cations and anions in the asymmetric unit. In the crystal structures of both salts, the ions are linked via N-H⋯O and N-H⋯N hydrogen bonds, forming sheets which are parallel to (100) in (I) and to (001) in (II). In (I), the sheets are linked via C-H⋯Cl hydrogen bonds, forming a three-dimensional framework.

| S-EPMC4571366 | biostudies-literature

4-(2-Meth-oxy-phen-yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide.

Project description:In the cation of the title salt, C11H17N2O(+)·C7H8ClN2O2 (-), the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. Its mean plane makes a dihedral angle of 42.36 (8)° with the phenyl ring of its 2-meth-oxy-phenyl substituent. The 2,4-dioxopyrimidin-1-ide anion is generated by deprotonation of the N atom at the 1-position of the pyrimidine-dione ring. Intra-molecular C-H⋯O hydrogen bonds generate S(6) ring motifs in both the cation and the anion. In the crystal, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds are also observed, resulting in a two-dimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C-H⋯π inter-actions.

| S-EPMC3998442 | biostudies-literature

4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium bis-(trichloro-acetate) 0.4-hydrate.

Project description:The title compound, C(17)H(20)F(2)N(2) (2+)·2C(2)Cl(3)O(2) (-)·0.4H(2)O, has twofold protonated N atoms. The trichloro-acetate anions each show one disordered Cl atom with site occupation factors of 0.945 (7):0.055 (7) 0.945 (8):0.055 (8). In the crystal, N-H⋯O, O(water)-H⋯O and O(water)-H⋯F inter-actions connect the components into a three-dimensional network.

| S-EPMC3343943 | biostudies-literature

(±)-2-Methyl-piperazin-1-ium perchlorate.

Project description:In the title compound, C(5)H(13)N(2) (+)·ClO(4) (-), the monoprotonated piperazine ring adopts a chair conformation. In the crystal structure, cations and anions are linked by inter-molecular N-H?O and N-H?N hydrogen bonds into layers parallel to (01).

| S-EPMC3007435 | biostudies-literature

(2,3-Difluoro-phen-yl)(4-tosyl-piperazin-1-yl)methanone.

Project description:In the title compound, C(18)H(18)F(2)N(2)O(3)S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best fit plane throught the six non-H atoms of the piperazine ring is 69.4 (2)°, while those between the fluoro-benzene and sulfonyl rings and the fluoro-benzene and piperazine rings are 30.97 (2) and 75.98 (2)°, respectively. In the crystal, mol-ecules are connected to form a tetra-meric unit through C-H⋯O hydrogen bonds. The structure is further stabilized by weak inter-molecular C-H⋯F inter-actions, generating C(8) and C(7) chains running along [100].

| S-EPMC3569247 | biostudies-literature

l-Lysinium trifluoro-acetate.

Project description:Ions of the title compound, C(6)H(15)N(2)O(2) (+)·C(2)F(3)O(2) (-), a new organic nonlinear optical crystal, are linked by N-H⋯O hydrogen-bonding inter-actions. Both the amino groups of the l-lysinium cation are protonated. A three-dimensional network of hydrogen bonds is observed, forming a closed ring. Inter-molecular N-H⋯O hydrogen bonds involving l-lysinium cations and trifluoro-acetate anions link the ions into extended chains which run parallel to the [010] direction. The F atoms of the trifluoro-acetate anion are disordered over two sites with site occupancies of 0.423 (18) and 0.577 (18). The asymmetric unit consists of two cations and two anions.

| S-EPMC2960259 | biostudies-literature

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