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N-[Bis(4-fluoro-phen-yl)methyl-ene]aniline.

ABSTRACT: The title compound, C(19)H(13)F(2)N, was synthesized by an addition reaction of bis-(4-fluoro-phen-yl)methanone with aniline. The dihedral angles formed by the fluoro-benzene rings with the aniline ring are 81.04 (5) and 64.15 (5)°. In the crystal packing, inter-molecular C-H⋯F hydrogen bonds link mol-ecules into zigzag chains parallel to the c axis.

SUBMITTER: Zhang ML

PROVIDER: S-EPMC2983916 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Methyl 4,6-bis-(4-fluoro-phen-yl)-2-oxo-cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The 3-cyclo-hexene units adopt envelope conformations in each of the two independent mol-ecules that comprise the asymmetric unit of the title compound, C(20)H(16)F(2)O(3). The dihedral angles between the two fluoro-phenyl rings are 79.7 (2) and 73.7 (2)° in the two mol-ecules. In one of the mol-ecules, two C-H groups of the cyclo-hexene ring are disordered over two sets of sites in a 0.818 (13):0.182 (13) ratio, the major and minor components corresponding to the two enanti-omeric forms of the mol-ecule. Weak inter-molecular C-H⋯O inter-actions help to stabilize the crystal structure.

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Crystal structure of dimethyl 3,3'-[(4-fluoro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendic-ular to one another, making a dihedral angle of 84.0 (5)°; the fluoro-benzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagated along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

| S-EPMC4647434 | biostudies-literature

Diethyl 3,3'-[(3-fluoro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).

Project description:In the title compound, C29H25FN2O4, the mean planes of the indole ring systems are approximately perpendicular to one another [dihedral angle = 88.3 (4)°]. The benzene ring is twisted with respect to the indole ring systems by 49.8 (5) and 77.6 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers which are further linked into supra-molecular chains propagating along the [110] direction.

| S-EPMC9462259 | biostudies-literature

3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

Project description:In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07 (4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09 (5) and 55.48 (6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657 (15):0.343 (15) and 0.509 (13):0.491 (13).

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1,5-Bis(penta-fluoro-phen-yl)-3-phenyl-pent-2-ene-1,5-dione.

Project description:In the title compound, C(23)H(8)F(10)O(2), the three arene rings are twisted one with respect to the other: the two perfluorinated arene rings are tilted to each other by an angle of 60.39?(7)°. They are inclined to the non-fluorinated phenyl unit by 38.85?(7) and 78.74?(7)°. The olefinic double bond adopts an E configuration. The carbonyl groups are not in a coplanar alignment with reference to the neighbouring arene rings. The crystal packing features a number of weak C-H?F inter-actions, which leads to the formation of a three-dimensional network.

| S-EPMC2971416 | biostudies-literature

1-[Bis(4-fluoro-phen-yl)meth-yl]-4-[2-(2-methyl-phen-oxy)eth-yl]piperazine.

Project description:In the title mol-ecule, C(26)H(28)F(2)N(2)O, the piperazine ring adopts a chair conformation, with the N-bonded substituents in equatorial orientations. The dihedral angle between the fluoro-benzene rings is 69.10?(15).

| S-EPMC3344032 | biostudies-literature

2,2'-{[2-(2-Chloro-phen-yl)-4-methyl-imidazolidine-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:In the title compound, C24H25ClN2O2, the 2-hy-droxy-benzyl substituents and the 2-chloro-phenyl group occupy the sterically preferred equatorial positions, whereas the methyl group occupies the axial position. The imidazolidine ring adopts an envelope conformation with one of the N atoms adjacent to the methylene group as the flap. The chloro-phenyl substit-uent approaches a nearly perpendicular orientation relative to the mean plane of the imidazolidine ring, making a dihedral angle of 73.44?(12)° and the Cl atom is almost coplanar with the C atom bearing the chloro-phenyl substituent [Cl-C-C-C torsion angle = 1.1?(3)°]. The hy-droxy-benzyl groups make dihedral angles of 71.23?(15) and 69.13?(19)° with the mean plane of the heterocyclic ring. The dihedral angle between the two hy-droxy-benzyl groups is 69.61?(12)°. The mol-ecular structure features two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) between the phenolic hydroxyl groups and N atoms.

| S-EPMC3793727 | biostudies-literature

2-[(4-Methyl-phen-yl)sulfan-yl]aniline.

Project description:The least-squares planes defined by the aromatic moieties in the title aniline derivative, C(13)H(13)NS, are nearly perpendicular to each other, forming a dihedral angle of 87.80 (7)°. Apart from a weak intramolecular N-H⋯S hydrogen bond, a co-operative set of N-H⋯N hydrogen bonds present in the crystal structure leads to the formation of tetra-meric units.

| S-EPMC3051706 | biostudies-literature

2,2'-{[2-(2-Hy-droxy-phen-yl)-4-methyl-imidazolidine-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:The asymmetric unit in the title compound, C24H26N2O3, comprises two independent mol-ecules (A and B). In molecule A, the central 2-hydroxyphenyl ring is inclined to the mean plane of the major component of the imidazolidine ring by 84.52?(14)°, and by 68.08?(9) and 47.48?(9)° to the outer phenol rings. The later are inclined to one another by 66.76?(9)° and by 78.12?(14) and 80.20?(14)° to the imidazoline ring mean plane. In molecule B, the central 2-hydroxyphenyl ring is inclined to the mean plane of the imidazolidine ring by 73.64?(10)°, and by 75.60?(8) and 38.32?(9)° to the outer phenol rings. The later are inclined to one another by 69.47?(9)° and by 82.60?(10) and 64.26?(10)° to the imidazolidine ring mean plane. In each of the independent mol-ecules, two intra-molecular O-H?N hydrogen bond form S(6) ring motifs. In disordered mol-ecule A, the O-H groups of the 2-hy-droxy-benzyl groups are also involved in intra-molecular O-H?O hydrogen bonds, with the O atom of the hy-droxy-phenyl group acting as the acceptor. In the crystal, A molecules are linked by pairs of O-H?O hydrogen bonds forming inversion dimers. These dimers are linked to the B molecules via O-H?O hydrogen bonds forming double-layered slabs lying parallel to the bc plane.

| S-EPMC3793786 | biostudies-literature

1,2-Bis[bis-(methyl-sulfan-yl)methyl-ene]hydrazine.

Project description:The title compound, C(6)H(12)N(2)S(4), was obtained as a by-product (8%) during the reaction of the electrogenerated cyano-methyl anion with phenyl-amine, carbon disulfide and methyl iodide. The mol-ecule, with the exception of 8 H atoms, lies on a crystallographic mirror plane and is arranged around an inversion centre located at the mid-point of the N-N bond.

| S-EPMC2961342 | biostudies-literature

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