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2,2,2-Tri-fluoro-N-(2-iodo-phen-yl)acetamide.

ABSTRACT: The three F atoms in the title compound, C8H5F3INO, are disordered over two sets of sites [relative occupancies = 0.615?(14):0.385?(14)]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains running along the c-axis direction. The dihedral angle between the ring and the amide group is 62.1?(3)°.

SUBMITTER: Ruchun Y

PROVIDER: S-EPMC3885029 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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2,2,2-Tri-fluoro-N-(2-iodo-phen-yl)acetamide.

Ruchun Yang Y Hui Zhang Z Banpeng Cao C

Acta crystallographica. Section E, Structure reports online 20131106 Pt 12

The three F atoms in the title compound, C8H5F3INO, are disordered over two sets of sites [relative occupancies = 0.615 (14):0.385 (14)]. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains running along the c-axis direction. The dihedral angle between the ring and the amide group is 62.1 (3)°. ...[more]

PMID: 24454204

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Crystal structure of N-(2-{[2,6-bis-(2,2,2-tri-fluoro-acetamido)-phen-yl]disulfan-yl}-3-(2,2,2-tri-fluoro-acetamido)-phen-yl)-2,2,2-tri-fluoro-acetamide.

Project description:The title compound, C20H10F12N4O4S2, is an organic diaryl di-sulfide compound with tri-fluoro-acetamide substituents at the ortho-positions of each benzene ring. There are two mol-ecules (labeled A and B) in the asymmetric unit. The F atoms of three of the -CF3 groups exhibit rotational disorder over two positions each. The S-S bond distances are 2.0914 (7) and 2.0827 (6) Å for mol-ecules A and B, respectively. The dihedral angle between the S-S-C and S-C-C planes is 103.05 (15)° for mol-ecule A and 104.09 (15)° for mol-ecule B. The three-dimensional supra-molecular architecture of the crystal is sustained by numerous N-H⋯O, N-H⋯S and C-H⋯O inter-actions.

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5-(4-Fluoro-phen-yl)-2H-pyrazol-1-ium 2,2,2-tri-fluoro-acetate.

Project description:The title salt, C9H8FN2 (+)·C2F3O2 (-), crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.8 (8)° in cation B. In the crystal, each anion links to the two cations via N-H⋯O hydrogen bonds, forming a U-shaped unit with an R 4 (4)(14) ring motif. These U-shaped units stack along the a axis and are linked via C-H⋯O and C-H⋯F hydrogen bonds, forming slabs lying parallel to (100). Within the slabs there are π-π inter-actions between the pyrazolium rings [inter-centroid distance = 3.6326 (15) Å] and between the benzene rings [inter-centroid distance = 3.7244 (16) Å]. In the anions, the F atoms of the tri-fluoro-methyl groups are disordered over two sets of sites, with refined occupancy ratios of 0.58 (3):0.42, 0.540 (14):0.46 (14), and 0.55 (2):0.45 (2) for anion C, and 0.73 (5):0.27 (5), 0.63 (5):0.37 (5), and 0.57 (8):0.43 (8) for anion D.

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(5-Fluoro-4'-methyl-biphenyl-3-yl)(2,4,6-tri-methyl-phen-yl)iodo-nium tri-fluoro-methane-sulfonate.

Project description:In the title mol-ecular salt, C22H21FI(+)·CF3SO3 (-), the dihedral angle between the rings of the biphenyl group is 65.6?(1)°. The ring of the mesitylene group is inclined to the fluoro-benzene ring at an angle of 86.1?(3)° and the C-I-C bond angle is 97.0?(2)°. In the crystal, extremely short I?O contacts of 2.862?(5) and 2.932?(5)?Å occur, due to the strong electrostatic inter-actions between the I atom and two adjacent tri-fluoro-methane-sulfonate counter-ions. There are also C-H?F and C-H?? inter-actions present: together with the I?O bonds, these result in a three-dimensional network.

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Crystal structures of 3-fluoro-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide, 3-bromo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide and 3-iodo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide.

Project description:In the title compounds, C14H9F4NO, (I), C14H9BrF3NO, (II), and C14H9F3INO, (III), the two benzene rings are inclined to one another by 43.94 (8)° in mol-ecule A and 55.66 (7)° in mol-ecule B of compound (I), which crystallizes with two independent mol-ecules in the asymmetric unit, but by only 10.40 (12)° in compound (II) and 12.5 (2)° in compound (III). In the crystals of all three compounds, N-H⋯O hydrogen bonds link the mol-ecules to form chains propagating along the a-axis direction for (I), and along the b-axis direction for (II) and (III). In the crystal of (I), -A-B-A-B- chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to (010). Within the layers there are weak offset π-π inter-actions present [inter-centroid distances = 3.868 (1) and 3.855 (1) Å]. In the crystals of (II) and (III), the chains are linked via short halogen-halogen contacts [Br⋯Br = 3.6141 (4) Å in (II) and I⋯I = 3.7797 (5) Å in (III)], resulting in the formation of ribbons propagating along the b-axis direction.

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2,2-Diphenyl-N-{[2-(tri-fluoro-meth-yl)phen-yl]carbamo-thio-yl}acetamide.

Project description:The title mol-ecule, C22H17F3N2OS, adopts a trans-cis conformation with respect to the positions of the carbonyl and tri-fluoro-methyl-benzene groups against the thio-carbonyl group across the C-N bonds. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond with an S(6) ring motif. The tri-fluoro-methyl-substituted benzene ring forms dihedral angles of 66.05 (9) and 47.19 (9)° with the terminal phenyl rings and is twisted from the O=C-N-(C=S)-N carbonyl-thio-urea plane [maximum deviation = 0.0535 (12) Å], making a dihedral angle of 63.59 (8)°. In the crystal, N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a layer parallel to the bc plane. A C-H⋯π inter-action is also observed.

| S-EPMC3793754 | biostudies-literature

N-(2,3-Dimethyl-phen-yl)-2,2,2-trimethyl-acetamide.

Project description:The N-H bond in the title compound, C(13)H(19)NO, is anti to the C=O bond and is also anti to both the 2- and 3-methyl substituents in the aromatic ring. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains propagating along the c axis.

| S-EPMC2969287 | biostudies-literature

2,2,2-Tribromo-N-(2-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules. Intra-molecular N-H?Br hydrogen bonds are present in both mol-ecules. In the crystal, mol-ecules are packed into columnar chains by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2984052 | biostudies-literature

2,2,2-Tribromo-N-(4-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules which differ in the orientation of the tribromo group. A weak intra-molecular N-H⋯Br hydrogen bond is observed in each mol-ecule. In the crystal, the independent mol-ecules are linked into chains along the b axis by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2983910 | biostudies-literature

2,2,2-Tribromo-N-(3-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules. The conformation of the N-H bond is anti to the 3-methyl substituent in the benzene ring in each mol-ecule. The structure shows both intra-molecular N-H⋯Br and inter-molecular N-H⋯O hydrogen bonding, the latter leading to the formation of helical supra-molecular chains along the b axis.

| S-EPMC2971947 | biostudies-literature

2,2,2-Trichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound, C(10)H(10)Cl(3)NO, is anti to the C=O bond. The amide H atom exhibits both intra-molecular N-H⋯Cl and inter-molecular N-H⋯O hydrogen bonding. The latter inter-actions link the mol-ecules into infinite chains.

| S-EPMC2977724 | biostudies-literature

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