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

ABSTRACT: 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.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2959722 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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

Saeed Aamer A Khera Rasheed Ahmad RA Gotoh Kazuma K Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20081011 Pt 11

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. ...[more]

PMID: 21580962

Similar Datasets

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

3-Fluoro-N-(3-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 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.

| S-EPMC2968027 | biostudies-literature

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-(2-Hydroxy-ethyl)-2-[3-(p-tol-yl)triazen-1-yl]benzamide.

Project description:In the solid state, the structure of the title compound, C(16)H(18)N(4)O(2), is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. These hydrogen bonds arrange the mol-ecules into a double-layer supra-molecular structure. The mol-ecular conformation is is consolidated by an intra-molecular N-H⋯N hydrogen bond. The dihedral angle between the aromatic rings is 8.01 (10)°

| S-EPMC2977684 | 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

2-Fluoro-N-(4-methoxy-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)FNO(2), the fluoro-benzene and methoxy-benzene rings are inclined at 27.06 (7) and 23.86 (7)°, respectively, to the amide portion of the mol-ecule and at 3.46 (9)° to one another. The meth-oxy substituent lies close to the methoxy-benzene ring plane, with a maximum deviation of 0.152 (3) Å for the methyl C atom. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into rows along a. Weak C-H⋯O and C-H⋯F inter-actions further stabilize the packing, forming corrugated sheets in the bc plane.

| S-EPMC2969053 | biostudies-literature

4-(4-Fluoro-anilino)-N-(4-fluoro-phen-yl)-3-nitro-benzamide.

Project description:In the title compound, C(19)H(13)F(2)N(3)O(3), the anilinobenzamide unit is essentially planar, with a maximum deviation of 0.036?(3)?Å. The nitro group and the benzene ring form dihedral angles of 9.6?(5)and 62.20?(8)°, respectively, with the anilinobenzamide unit. An intra-molecular N-H?O inter-action occurs. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O, N-H?O and C-H?F hydrogen bonds, which stabilize the structure.

| S-EPMC3009010 | biostudies-literature

2,6-Di-fluoro-N-(prop-2-yn-yl)benzamide.

Project description:In the mol-ecule of the title di-fluoro-benzamide derivative, C10H7F2NO, the angle formed by the least-squares mean line through the prop-2-ynyl group [maximum deviation = 0.011?(3)?Å] and the normal to the benzene ring is 59.03?(7)°. In the crystal, mol-ecules are linked via N-H?O and C-H?F hydrogen bonds into layers parallel to the ac plane.

| S-EPMC3884469 | biostudies-literature

N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

Project description:In the title compound, C12H15FN2O2S, the mol-ecule adopts a cis configuration of the fluoro-benzoyl group with respect to the thiono group about their C-N bond. The dihedral angle between the fluoro-benzoyl group and the thio-urea N2CS fragment is 69.60?(11)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form chains along the b-axis direction via O-H?S and C-H?O hydrogen bonds.

| S-EPMC4011211 | 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

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