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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

Similar Datasets

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.

| S-EPMC4555375 | biostudies-literature

(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.

| S-EPMC4011304 | biostudies-literature

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 ?-? 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.

| S-EPMC4908555 | biostudies-literature

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?? inter-action is also observed.

| S-EPMC3793754 | biostudies-literature

2,2,2-Trichloro-N-(2,5-dimethyl-phen-yl)acetamide.

Project description:The N-H bond in the title compound, C(10)H(10)Cl(3)NO, is syn to the 2-methyl and anti to the 5-methyl substituent of the aromatic ring. Adjacent mol-ecules are linked into chains through N-H?O hydrogen bonding. Two Cl atoms are each disordered equally over two sites.

| S-EPMC2961108 | 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-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

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

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