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4-[(4-Chloro-phen-yl)(phen-yl)-meth-yl]-piperazin-1-ium picrate monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(20)ClN(2) (+)·C(6)H(2)N(3)O(7) (-)·H(2)O, contains a piperazin-1-ium cation, a picrate anion and one solvent water mol-ecule. The piperazene ring is protonated at one N atom and adopts a highly distorted chair conformation with the chloro-pheny(phen-yl)methyl substituent on the second N atom in an equatorial position. The crystal structure is stabilized by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds.

SUBMITTER: Song Y

PROVIDER: S-EPMC3414941 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(2,3-Di-chloro-phen-yl)piperazin-1-ium picrate.

Project description:The title compound, C6H2N3O7 -·C10H13Cl2N2 +, crystallizes with one 1-(2,3-di-chloro-phen-yl)piperazine (DP) cation and one picrate (PA) anion in the asymmetric unit. In the crystal structure, the DP cation and PA anion are inter-connected via several N-H⋯O and C-H⋯O hydrogen bonds. The DP cation and PA anion are further connected through C-Cl⋯π [3.8201 (4), 3.7785 (4) Å] and N-O⋯π [3.7814 (4) Å] inter-actions. The DP cations are further inter-connected via a weak inter-molecular Cl⋯Cl [3.2613 (4) Å] halogen-halogen inter-action. The combination of these supra-molecular inter-actions leads to a herringbone like supra-molecular architecture.

| S-EPMC9462331 | biostudies-literature

Crystal structure of 1-(3-chloro-phen-yl)piperazin-1-ium picrate-picric acid (2/1).

Project description:The title salt {systematic name: bis-[1-(3-chloro-phen-yl)piperazinium 2,4,6-tri-nitro-phenolate]-picric acid (2/1)}, 2C10H14ClN2 (+)·2C6H5N3O7 (-)·C6H6N3O7, crystallized with two independent 1-(3-chloro-phen-yl)piperazinium cations, two picrate anions and a picric acid mol-ecule in the asymmetric unit. The six-membered piperazine ring in each cation adopts a slightly distorted chair conformation and contains a protonated N atom. In the picric acid mol-ecule, the mean planes of the nitro groups in the ortho-, meta-, and para-positions are twisted from the benzene ring by 31.5 (3), 7.7 (1), and 3.8 (2)°, respectively. In the anions, the dihedral angles between the benzene ring and the ortho-, meta-, and para-nitro groups are 36.7 (1), 5.0 (6), 4.8 (2)°, and 34.4 (9), 15.3 (8), 4.5 (1)°, respectively. The nitro group in one anion is disordered and was modeled with two sites for one O atom with an occupancy ratio of 0.627 (7):0.373 (7). In the crystal, the picric acid mol-ecule inter-acts with the picrate anion through a trifurcated O-H⋯O four-centre hydrogen bond involving an intra-molecular O-H⋯O hydrogen bond and a weak C-H⋯O inter-action. Weak inter-molecular C-H⋯O inter-actions are responsible for the formation of cation-anion-cation trimers resulting in a chain along [010]. In addition, weak C-H⋯Cl and weak π-π inter-actions [centroid-centroid distances of 3.532 (3), 3.756 (4) and 3.705 (3) Å] are observed and contribute to the stability of the crystal packing.

| S-EPMC4257327 | biostudies-literature

4-(2,3-Dimethyl-phen-yl)piperazin-1-ium chloride monohydrate.

Project description:The title compound, C(12)H(19)N(2) (+)·Cl(-)·H(2)O, contains a network of 4-(2,3-dimethyl-phen-yl)piperazin-1-ium cations, water mol-ecules and chloride anions. The crystal packing is influenced by O-H⋯Cl, N-H⋯Cl, N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds, resulting in structure with an open-framework architecture.

| S-EPMC2961679 | biostudies-literature

Syntheses and crystal structures of 4-(4-meth-oxy-phen-yl)piperazin-1-ium 4-methyl-benzoate monohydrate and bis-[4-(4-meth-oxy-phen-yl)piperazin-1-ium] benzene-1,2-di-carboxyl-ate.

Project description:Co-crystallization of N-(4-meth-oxy-phen-yl)piperazine with 4-methyl-benzoic acid and with benzene-1,2-di-carb-oxy-lic acid yields the salts 4-(4-meth-oxy-phen-yl)piperazin-1-ium 4-methyl-benzoate monohydrate, C11H17N2O+·C8H7O2 -·H2O (I), and bis-[4-(4-meth-oxy-phen-yl)piperazin-1-ium] benzene-1,2-di-carboxyl-ate, 2C11H17N2O+·C8H4O4 2- (II). These salts both crystallize with Z' = 2, in space groups P and Pna21, respectively. In compound (I), a combination of four O-H⋯O, four N-H⋯O, one C-H⋯O and one C-H⋯π(arene) hydrogen bonds link the six independent components into complex sheets, within which the two piperazine rings, the two anions, and the two water mol-ecules are related by an approximate, non-crystallographic translation along the b-axis direction. In compound (II), sheets containing R 4 4(18) and R 10 12(38) rings are formed by the combined action of eight independent N-H⋯O hydrogen bonds. Comparisons are made with the structures of some related compounds.

| S-EPMC9443794 | 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

3-Chloro-6-{4-[3-(trifluoro-meth-yl)phen-yl]piperazin-1-yl}pyridazine.

Project description:The title compound, C(15)H(14)ClF(3)N(4), was synthesized from 3,6-dichloro-pyridazine and 1-[3-(trifluoro-meth-yl)phen-yl]piper-azine. The piperazine ring is flanked by 3-chloro-pyridazine and 3-trifluoro-methyl-phenyl rings and adopts a chair conformation, whereas the 3-chloro-pyridazine and 3-trifluoro-methyl-phenyl rings are planar, with maximum deviations of 0.0069?(13) and 0.0133?(14)?Å, respectively. The crystal structure is stabilized by weak inter-molecular C-H?N hydrogen-bond inter-actions.

| S-EPMC2983628 | biostudies-literature

4-(4-Carboxy-benz-yl)-1-methyl-piperazin-1-ium picrate.

Project description:The title compound, C(13)H(19)N(2)O(2) (+)·C(6)H(2)N(3)O(7) (-), is a salt obtained by cocrystallization of 4-[(4-methyl-piperazin-1-yl)meth-yl]benzoic acid and picric acid. The cations adopt an 'L-shaped' conformation and are linked into chains along [010] by O-H?N hydrogen bonds. The NH group of each piperazinium ring forms a hydrogen bond to the phenolate O atom of a picrate anion, and the picrate anions form face-to-face contacts with an inter-planar separation of 3.023?(1)?Å.

| S-EPMC2968640 | biostudies-literature

1-Methyl-2-({[(1-methyl-1H-benzimid-azol-2-yl)meth-yl](phen-yl)amino}-meth-yl)1H-benzimidazol-3-ium picrate.

Project description:In the title molecular salt, C(24)H(24)N(5) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the benzimidazole rings of the cation is 5.041?(2)°. In the anion, the three nitro groups make dihedral angles of 2.468?(3), 12.795?(3) and 24.958?(4)° with respect to the central ring. In the crystal, weak aromatic ?-? stacking [centroid-centroid distance = 3.599?(15)?Å] consolidates the packing. In addition, an intra-molecular N-H?N hydrogen bond is observed.

| S-EPMC3151771 | 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

N-{2-[4-(2-Meth-oxy-phen-yl)piperazin-1-yl]eth-yl}pyridin-2-amine monohydrate.

Project description:In the title compound, C(18)H(24)N(4)O·H(2)O, the piperizine ring adopts a chair conformation and the dihedral angle between the phenyl and pyridine rings is 39.9?(3)°. The comformations of the attachment of the anisole and N-ethyl-pyridin-2-amine groups to the piperazine ring are +anti-periplanar. An intra-molecular C-H?O inter-action occurs. In the crystal, the water mol-ecule links the mol-ecules into chains through O-H?N hydrogen bonds. Weak N-H?O, C-H?N and C-H?O inter-actions further stabilize the crystal structure.

| S-EPMC3006790 | biostudies-literature

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