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4-[(4-Methyl-anilino)meth-yl]benzonitrile.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(14)N(2), contains two mol-ecules. The amine NH group connects two aromatic systems with similar C-N-C bond angles of 120.96 (16) and 119.75 (16)° for each independent mol-ecule. In contrast, the dihedral angles between the benzene rings are significantly different for the two independent mol-ecules, viz. 69.1 (2) and 79.9 (2)°.

SUBMITTER: Wei B

PROVIDER: S-EPMC3151942 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl [(9-anthr-yl)(4-methyl-anilino)meth-yl]phospho-nate.

Project description:The title compound, C(26)H(28)NO(3)P, crystallized with two independent mol-ecules in the asymmetric unit. The structural features (bond lengths and angles) of the two mol-ecules are almost identical. The inter-planar angle between the anthracene and toluidine rings is similar in the two mol-ecules, with values of 82.92 (5) and 80.70 (5)°. In the crystal, both molecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. Three of the four ethyl groups are disordered over two sets of sites, the major components having occupancies of 0.748 (15), 0.77 (4) and 0.518 (19).

| S-EPMC3213438 | biostudies-literature

rac-Dimethyl [(9-anthr-yl)(4-methyl-anilino)meth-yl]phospho-nate.

Project description:The title compound, C(24)H(24)NO(3)P, crystallizes as a racemate with two mol-ecules in the asymmetric unit. The structural features (bond lengths and angles) of the two mol-ecules are almost identical. The dihedral angle between the anthracene and toluidine rings is similar in the two mol-ecules, with values of 48.36 (9) and 51.15 (9)°. The methyl groups of one of the meth-oxy groups in one mol-ecule is disordered over two sets of sites, the major component having a site occupancy of 0.636 (3). In the crystal, both molecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3213493 | biostudies-literature

2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol.

Project description:The title compound, C(22)H(31)NO, has been synthesized from 4-bromo-methyl-2,6-di-tert-butyl-phenol and N-methyl-aniline. There are two independent mol-ecules in the asymmetric unit. The aniline ring in each of the independent mol-ecules was found to be disordered, with site occupation factors 0.621 (10)/0.379 (10) and 0.605 (10)/0.395 (10).

| S-EPMC2960411 | biostudies-literature

N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-yl}pyrimidin-4-amine.

Project description:The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853?(4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1?(2), 37.5?(2) and 70.7?(2)°, respectively, in mol-ecule A, and 9.3?(2), 5.3?(2) and 79.7?(2)° in mol-ecule B. An intra-molecular N-H?N hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-H?N hydrogen bonds, with a resulting R 2 (2)(12) ring motif and ?-? stacking inter-actions [centroid-centroid distance = 3.517?(4)?Å] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-H?O hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

| S-EPMC3885078 | biostudies-literature

2-[4-(Azido-meth-yl)phen-yl]benzonitrile.

Project description:The title compound, C(14)H(10)N(4), was obtained by a reaction of 4'-(bromo-meth-yl)biphenyl-2-carbonitrile and sodium azide. The dihedral angle between the benzene rings is 46.41 (7)°. Weak inter-molecular C-H⋯π inter-actions occur in the crystal.

| S-EPMC3394073 | biostudies-literature

5-[(4-Fluoro-anilino)meth-yl]-6-methyl-N-(4-methyl-phen-yl)-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C(25)H(23)FN(4), the pyrimidine ring makes dihedral angles of 11.3?(2), 24.5?(2) and 70.1?(2)° with the phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H?N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C-H?F hydrogen bonds link two mol-ecules into an inversion dimer with an R(2) (2)(16) motif. In the dimer, there is also an inter-molecular ?-? stacking inter-action [centroid-centroid distance = 3.708?(4)?Å] between the fluorinated benzene rings. The dimers are further linked by a C-H?? inter-action, so forming a column along the c axis.

| S-EPMC3470299 | biostudies-literature

4-[(E)-(3-Methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino-meth-yl]benzonitrile.

Project description:In the title compound, C(11)H(9)N(5)S, the dihedral angle between the mean planes of the thione-substituted triazole ring and benzonitrile ring is 4.28?(3)°. Inter-molecular N-H?S hydrogen bonds link the mol-ecules together into characteristic dimers.

| S-EPMC2961771 | biostudies-literature

2-[(4-Meth-oxy-anilino)meth-yl]phenol.

Project description:In the title compound, C(14)H(15)NO(2), the dihedral angle between the two benzene rings is 71.10 (5)°. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, and O-H⋯N hydrogen bonds into a chain running parallel to the b axis.

| S-EPMC3200731 | biostudies-literature

4-[Bis(1H-indol-3-yl)meth-yl]benzonitrile.

Project description:In the title mol-ecule, C(24)H(17)N(3), the didhedral angles formed by the mean planes of the indole ring systems and the benzene ring are 86.44?(7) and 86.96?(7)°. The dihedral angle between the two indole ring systems is 72.08?(6)°. In the crystal, inter-molecular bifurcated (N-H)(2)?N hydrogen bonds link mol-ecules into sheets lying parallel to (010).

| S-EPMC3151881 | biostudies-literature

4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Project description:The title compound, C(9)H(7)N(5), was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetra-zole ring and the methyl-benzonitrile moiety is (-)-anti-clinal. The crystal packing is dominated by van der Waals inter-actions.

| S-EPMC2960265 | biostudies-literature

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