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

ABSTRACT: 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.

SUBMITTER: Dayananda AS

PROVIDER: S-EPMC3343943 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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Project description:In the title compound, C(19)H(20)F(2)N(2)O, the six-membered piperazine group adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the two benzene rings is 73.4?(6)°. The mean plane of the ethanone group is twisted from the mean planes of the two benzene rings by 66.7?(8) and 86.2?(6)°. In the crystal, C-H?O and C-H?F inter-actions link the molecules, forming a three-dimensional structure.

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Project description:In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (-)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915?(3):0.085?(3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59?(3):0.41?(3), 0.503?(12):0.417?(12) and 0.653?(12):0.347?(12). The piperazine ring adopts a chair conformation, with puckering parameters Q(T) = 0.587?(3)?Å, ? = 2.6?(2) and ? 334?(6)°. In the crystal, neighbouring mol-ecules are linked by N-H?O, O-H?O, N-H?Cl, C-H?O and C-H?Cl hydrogen bonds, forming a three-dimensional network.

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2-{[2,8-Bis(tri-fluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidin-1-ium tri-chloro-acetate: crystal structure and Hirshfeld surface analysis.

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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.

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Project description:The complete mol-ecule of the title compound, C(10)H(4)Cl(6)N(2), is generated by crystallographic twofold symmetry, with two C atoms lying on the rotation axis; the 1,8-naphthyridine ring is almost planar with an r.m.s. deviation of 0.0002?Å. In the crystal structure, the mol-ecules are stacked in an anti-parallel manner along [001]. Short Cl?Cl [3.3502?(4)] and Cl?N [3.2004?(11)-3.2220?(10)?Å] contacts are observed in the crystal structure.

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Project description:The asymmetric unit of the title compound, C(14)H(6)Cl(6)N(2), contains two crystallographically independent mol-ecules, each of which is slightly twisted from planarity. The dihedral angles between the central ring and the two outer rings are 3.81?(7) and 4.30?(7)° in one mol-ecule, and 4.13?(8) and 4.10?(7)° in the other. In the crystal structure, mol-ecules are inter-linked by C-Cl?Cl inter-actions into sheets parallel to the ac plane. These sheets are stacked along the b axis in such a way that the mol-ecules are anti-parallel; they are further connected into a supra-molecular network. There are no classical hydrogen bonds. C?Cl [3.637?(2)?Å], Cl?Cl [3.5639?(5)-3.6807?(8)?Å] and Cl?N [3.3802?(15)-3.4093?(15)?Å] short contacts and ?-? inter-actions, with centroid-centroid distances in the range 3.5868?(9)-3.7844?(9)?Å, are observed.

| S-EPMC2979670 | biostudies-literature

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Project description:In the title molecular salt, C(25)H(38)N(4) (2+)·2PF(6) (-), one of the butyl groups and four F atoms in the basal plane of one of the PF(6) (-) octa-hedra are disordered over two sets of sites, with occupancy ratios of 0.704?(5):0.296?(5) and 0.71?(3):0.29?(3), respectively. The central benzene ring makes dihedral angles of 85.17?(12) and 81.97?(12)° with the terminal imidazole rings. In the crystal, cations and anions are linked together via inter-molecular C-H?F hydrogen bonds forming a three-dimensional network.

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(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(4-fluoro-phen-yl)prop-2-en-1-one.

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