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1-Bromo-2,3,5,6-tetra-fluoro-4-nitro-benzene.

ABSTRACT: In the title compound, C(6)BrF(4)NO(2), the nitro group is twisted by 41.7 (3)° with reference to the arene ring mean plane. The main inter-actions stabilizing the crystal structure include O⋯Br contacts [3.150 (2) and 3.201 (2) Å], while F⋯F inter-actions are minor [2.863 (3)-2.908 (3) Å].

SUBMITTER: Stein M

PROVIDER: S-EPMC3151949 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,3,5,6-Tetra-fluoro-1,4-bis-(trimethyl-sil-yl)benzene.

Project description:The asymmetric unit of the title compound, C(12)H(18)F(4)Si(2), contains two independent mol-ecules, both lying on inversion centers. The C(arene)-Si distances are significantly longer than in the analogous non-fluorinated compound. The packing of the mol-ecules results in a herringbone motif in the ac plane.

| S-EPMC3344037 | biostudies-literature

2,3,5,6-Tetra-fluoro-1,4-bis-(2-pyridylmethyl-eneamino-meth-yl)benzene.

Project description:The title compound, C(20)H(14)F(4)N(4), is a flexible bis-pyridine-type ligand with an extended fluorinated spacer group between the two pyridyl functions. The centroid of the central aromatic ring is situated on a crystallographic center of inversion. The dihedral angle between the pyridine ring and the central benzene ring is 63.85?(9)°. The crystal structure exhibits inter-molecular C-H?F hydrogen-bonding inter-actions.

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Crystal structure of 4'-bromo-2,3,5,6-tetra-fluoro-biphenyl-4-carbo-nitrile.

Project description:The title compound, C13H4BrF4N, synthesized from 1,4'-bromo-iodo-benzene and 4-bromo-2,3,5,6-tetra-fluoro-benzo-nitrile in a coupling reaction was found to crystallize in the ortho-rhom-bic space group P212121. The two phenyl rings are rotated with respect to each other by 40.6 (6)°. The mol-ecules inter-act via aryl-perfluoroaryl stacking [3.796 (2) and 3.773 (2) Å], resulting in inter-molecular chains along the a-axis direction. C-H⋯F contacts of about 2.45 Å connect these chains. In contrast to the structure of the parent compound 4'-bromo-biphenyl-4-carbo-nitrile, CN⋯Br contacts that could have given rise to a linear arrangement of the biphenyl mol-ecules desirable for non-linear optical (NLO) materials are not observed in the packing. Instead, several Br⋯F [3.2405 (17) and 3.2777 (18) Å] and F⋯F [2.894 (2) Å] contacts of side-on type II form an inter-molecular network of zigzag chains. The crystal studied was refined as an inversion twin.

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Poly[bis-(ethanol)(?4-2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ato)cadmium].

Project description:In the title compound, [Cd(C8F4O4)(C2H5OH)2] n , the Cd(II) cation sits on an inversion centre and is coordinated by six O atoms from four tetra-fluoro-benzene-1,4-di-carboxyl-ate anions and two ethanol mol-ecules in a distorted octa-hedral geometry. The anionic ligand is also located on an inversion centre, and connects four Cd(II) cations, generating a two-dimensional polymeric layer parallel to the ab plane. Within the layer, the ethanol mol-ecule links F and O atoms of the nearest anionic ligands via O-H?O and O-H?F hydrogen bonds. The ethyl group of the ethanol mol-ecule is disordered over two positions with an occupancy ratio of 0.567?(10):0.433?(10).

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2,3,5,6-Tetra-fluoro-1,4-bis-({[(thio-phen-2-yl)methyl-idene]amino}-meth-yl)benzene.

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Crystal structure of the co-crystal salt 2-amino-6-bromo-pyridinium 2,3,5,6-tetra-fluoro-benzoate.

Project description:The asymmetric unit of the co-crystal salt 2-amino-6-bromo-pyridinium 2,3,5,6-tetra-fluoro-benzoate, C5H6BrN2 +·C7HF4O2 -, contains one pyridinium cation and one benzoate anion. In the crystal, the amino-pyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms in an R 2 2(8) motif. Two pyridinium benzoate units are hydrogen bonded through self-complementary hydrogen bonds between the second amine hydrogen and a carboxyl-ate O with a second R 2 2(8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromo-pyridinium moieties and two 2,3,5,6-tetra-fluoro-benzoate moieties. The 2-amino-6-bromo-pyridinium moieties ?-stack in a head-to-tail mode with a centroid-centroid separation of 3.7227?(12)?Å and adjacent tetra-fluoro-benzoates also ?-stack in a head-to-tail mode with a centroid-centroid separation of 3.6537?(13)?Å.

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4-Bromo-1-nitro-benzene.

Project description:The non-H atoms of the title mol-ecule, C(6)H(4)BrNO(2), are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π-π stacking occurs between parallel benzene rings of adjacent mol-ecules with centroid-centroid distances of 3.643 (3) and 3.741 (3) Å. Weak inter-molecular C-H⋯O hydrogen bonding and short Br⋯O contacts [3.227 (4) 3.401 (4) Å] are also observed in the crystal structure. The crystal studied was a non-morohedral twin with a 26.1 (6)% minor component.

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2,3,5,6-Tetra-fluoro-1,4-bis-({[(5-methyl-thio-phen-2-yl)methyl-idene]amino}-meth-yl)benzene.

Project description:The title compound, C20H16F4N2S2, is a flexible bis-thio-phene-type Schiff base ligand with a perfluorinated backbone. The terminal thio-phene rings are almost normal to one another with a dihedral angle of 83.8?(2)°, and they are tilted to the central tetra-fluorinated benzene ring with dihedral angles of 61.2?(2) and 77.7?(1)°. In the crystal, there are ?-? inter-actions involving the benzene ring and the thiophene ring of a symmetry-related molecule with a centroid-centroid separation of 3.699?(3)?Å.

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1,3-Bis(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)-2,2-bis-[(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)meth-yl]propane.

Project description:In the crystal structure of the title compound, C29H8F16I4O4, short I⋯I and I⋯F contacts, which can be understood as halogen bonds (XBs), represent the strongest inter-molecular inter-actions, consistent with the presence of I and F atoms, and the absence of H atoms, at the periphery of the mol-ecule. In addition, π-π stacking inter-actions between tetra-fluoro-iodo-phenyl (TFIP) groups and five short F⋯F inter-actions are present.

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2-(2,3,5,6-Tetra-fluoro-4-iodo-anilino)-ethanol.

Project description:The reaction of 2-amino-ethanol and iodo-penta-fluoro-benzene in the presence of K(2)CO(3) gave the title compound, C(8)H(6)F(4)INO, in high yield. The structure is characterized by double layers of mol-ecules linked by O-H⋯O and N-H⋯O hydrogen bonds, and linear C-I⋯F [I⋯F = 3.049 (2) Å] and bent C-I⋯I [I⋯I = 3.9388 (7) Å] inter-actions between pairs of nearly parallel iodo-tetra-fluoro-phenyl groups. No O⋯I or N⋯I halogen bonding is found.

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