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3-Fluoro-N-(3-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide.

ABSTRACT: The title compound, C(19)H(12)F(2)N(2)O(2), a 2:1 product of the reaction of 3-fluoro-benzoyl-chloride and 2-amino-pyridine crystallizes with a disordered 3-fluoro-benzene ring adopting two conformations [ratio of occupancies 0.959?(4):0.041?(4)]. In the crystal structure, there are no classical hydrogen bonds and inter-actions comprise C-H?O in the form 2(C-H)?O=C [with motif R(2) (1)(5)]; C-H??(arene) inter-actions are also present.

SUBMITTER: Gallagher JF

PROVIDER: S-EPMC2968027 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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3-Fluoro-N-(3-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide.

Gallagher John F JF Donnelly Katie K Lough Alan J AJ

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

The title compound, C(19)H(12)F(2)N(2)O(2), a 2:1 product of the reaction of 3-fluoro-benzoyl-chloride and 2-amino-pyridine crystallizes with a disordered 3-fluoro-benzene ring adopting two conformations [ratio of occupancies 0.959 (4):0.041 (4)]. In the crystal structure, there are no classical hydrogen bonds and inter-actions comprise C-H⋯O in the form 2(C-H)⋯O=C [with motif R(2) (1)(5)]; C-H⋯π(arene) inter-actions are also present. ...[more]

PMID: 21581566

Similar Datasets

2-Fluoro-N-(2-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide.

Project description:The title compound, C(19)H(12)F(2)N(2)O(2), a 2:1 product of the reaction of 2-fluoro-benzoyl chloride and 2-amino-pyridine, crystallizes with a disordered 2-fluoro-benzene ring adopting two conformations [ratio of occupancies = 0.930?(4):0.070?(4)] in one of the two independent mol-ecules (differing slightly in conformation) comprising the asymmetric unit. In the crystal structure, C-H?O and C-H??(arene) inter-actions are present.

| S-EPMC2968523 | biostudies-literature

N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-4-fluoro-N-(4-fluoro-benzo-yl)benzamide.

Project description:In the title compound, C(24)H(12)BrF(2)NO(4), synthesized from 2-amino-3-bromo-1,4-naphthoquinone and 4-fluoro-benzoyl chloride, the two p-fluoro-phenyl rings are inclined at 73.9?(1) and 73.6?(1)° to the naphthoquinone ring system. The two imido carbonyl O atoms are anti to each other, while the fluoro-phenyl rings are located opposite each other, connected to the imide group in a funnel-like arrangement. This conformation allows the fluorine groups be oriented slightly away from each other. An examination of the packing shows a close inter-molecular F?O contact of 2.982?(5)?Å and a Br?O contact of 2.977?(4)?Å. In addition, the mol-ecules are linked by weak inter-molecular C-H?O and C-H?F inter-actions.

| S-EPMC2968378 | biostudies-literature

Crystal structure of 4-fluoro-N-[2-(4-fluoro-benzo-yl)hydra-zine-1-carbono-thio-yl]benzamide.

Project description:In the title compound, C15H11F2N3O2S, the dihedral angle between the fluoro-benzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluoro-benzene ring is 50.52 (11)°; the equivalent angle between the carbonyl-thio-amide group and its attached ring is 12.98 (10)°. The major twists in the mol-ecule occur about the C-N-N-C bonds [torsion angle = -138.7 (2)°] and the Car-Car-C-N (ar = aromatic) bonds [-132.0 (2)°]. An intra-molecular N-H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the mol-ecules are linked by N-H⋯O and N-H⋯S hydrogen bonds, generating (001) sheets. Weak C-H⋯O and C-H⋯F inter-actions are also observed.

| S-EPMC4186173 | biostudies-literature

Structural investigation of <i>N</i>-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]benzamide and <i>N</i>-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]-4-meth-oxy-benzamide.

Project description:The compound N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]benzamide, C21H16FN3O3S, crystallizes in the monoclinic centrosymmetric space group P21/c and its mol-ecular conformation is stabilized via an intra-molecular N-H⋯O hydrogen bond. The corresponding para-meth-oxy derivative, namely, N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]-4-meth-oxy-benzamide, C22H18FN3O4S, crystallizes in the monoclinic centrosymmetric space group C2/c. The supra-molecular network mainly comprises N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds, which contribute towards the formation of the crystal structures for the two mol-ecules. The different inter-molecular inter-actions have been further analysed using Hirshfeld surface analysis and fingerprint plots.

| S-EPMC8061111 | biostudies-literature

2,3-Difluoro-N-(2-pyrid-yl)benzamide.

Project description:The title compound, C(12)H(8)F(2)N(2)O, crystallizes with two independent mol-ecules in the asymmetric unit. The independent mol-ecules differ slightly in conformation; the dihedral angles between the benzene and pyridine rings are 51.58 (5) and 49.97 (4)°. In the crystal structure, mol-ecules aggregate via N-H⋯N(pyridine) inter-actions as hydrogen-bonded dimers with the structural motif R(2) (2)(8), and these dimers are linked via C-H⋯O inter-actions to form a supra-molecular chain.

| S-EPMC2959868 | 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-Methyl-N-[(3-methyl-2-pyrid-yl)carbamothio-yl]benzamide.

Project description:In the title compound, C(15)H(15)N(3)OS, the thio-urea group is stabilized by an intra-molecular hydrogen bond between the carbonyl O atom and the thio-amide group. A C-H⋯N intramolecular hydrogen bond is also present. Mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯S hydrogen bonds.

| S-EPMC2961265 | biostudies-literature

2-Iodo-N-(6-methyl-2-pyrid-yl)benzamide.

Project description:The asymmetric unit of the title compound, C(13)H(11)IN(2)O, comprises two crystallographically independent mol-ecules. The dihedral angles between the ring planes are 53.56?(9) and 72.14?(19)° in the two molecules. Pairs of inter-molecular N-H?N hydrogen bonds and I?O inter-actions link neighbouring mol-ecules into two different pairs of dimers, those involving N-H?N interactions having R(2) (2)(8) ring motifs. Short inter-molecular I?O [3.1458?(15)?Å] and I?N [3.4834?(16)?Å] contacts are present. The crystal structure is further stabilized by inter-molecular C-H?? inter-actions [3.565?(2) and 3.629?(2)?Å].

| S-EPMC2968040 | biostudies-literature

3-Fluoro-N-(p-tol-yl)benzamide.

Project description:In the crystal structure of the title compound, C(14)H(12)FNO, the amide -NHCO- mean plane makes dihedral angles of 28.6 (2) and 37.5 (2)° with the mean planes through the fluoro-benzene and methyl-benzene units, respectively. The dihedral angle between the two benzene ring mean planes is 65.69 (10)°. In the crystal structure, mol-ecules are linked through N-H⋯O hydrogen bonds and stack along the b axis.

| S-EPMC2959722 | biostudies-literature

N-[(4-Carbamoylphen-yl)carbamothio-yl]-2,3,4,5-tetra-fluoro-benzamide.

Project description:In the title compound, C(15)H(9)F(4)N(3)O(2)S, the N,N'-disubstituted thio-urea fragment adopts a cis,trans geometry, stabilized by an intra-molecular N-H⋯O hydrogen bond to the carbonyl O atom of the tetra-fluoro-benzoyl group. The central thio-urea group makes dihedral angles of 47.79 (7) and 35.54 (8)° with the two aromatic rings. In the crystal, mol-ecules are linked via N-H⋯O and N-H⋯S hydrogen bonds into two-dimensional polymeric structures parallel to (100). In turn, π-π stacking inter-actions between tetra-fluoro-benzene and benzene units [centroid-centroid distance = 3.996 (10) Å; dihedral angle = 13.60 (8)°] organize these two-dimensional assemblies into a three-dimensional framework.

| S-EPMC3051937 | biostudies-literature

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