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2-(4-Methyl-phen-yl)benzonitrile.

ABSTRACT: In the title compound, C(14)H(11)N, the dihedral angle between the mean planes of the two benzene rings is 44.6 (7)°. The crystal packing is stabilized by weak inter-molecular π-π stacking inter-actions, the centroid-centroid distances being 3.8172 (12) and 3.9349 (12) Å.

SUBMITTER: Siddegowda MS

PROVIDER: S-EPMC3151968 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

2-[4-(Morpholin-4-ylmeth-yl)phen-yl]benzonitrile.

Project description:In the title compound, C18H18N2O, the morpholine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angles between the central benzene ring and the morpholine ring (all atoms) and the cyano-benzene ring are 87.87?(7) and 52.54?(7)°, respectively. No significant inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3588350 | biostudies-literature

2-{4-[(Quinolin-8-yl-oxy)meth-yl]phen-yl}benzonitrile.

Project description:In the title compound, C(23)H(16)N(2)O, the bond angle at the O atom that connects the benzene ring and the quinoline ring system is 116.0?(2)°. The quinoline ring system make a dihedral angle of 16.5?(2)° with the adjacent benzene ring. The dihedral angle between the biphenyl benzene rings is 70.8?(2)°.

| S-EPMC3089367 | biostudies-literature

3-(4-{3,3,4,4,5,5-Hexafluoro-2-[5-(3-methoxy-phen-yl)-2-methyl-3-thien-yl]cyclo-pent-1-en-yl}-5-methyl-2-thien-yl)benzonitrile.

Project description:The title compound, C(29)H(19)F(6)NOS(2), is a new unsymmetrical photochromic diarylethene derivative with different meta-phenyl substituents. The distance between the two reactive (i.e. can be irradiated to form a new chemical bond) C atoms is 3.501?(4)?Å; the dihedral angles between the mean plane of the main central cyclo-pentene ring and the thio-phene rings are 47.7?(5) and 45.1?(2)°, and those between the thio-phene rings and the adjacent benzene rings are 29.4?(2) and 28.4?(3)°. The three C atoms and the F atoms of hexa-fuorocyclo-pentene ring are disordered over two positions, with site-occupancy factors of 0.751?(4) and 0.249?(4).

| S-EPMC2970449 | biostudies-literature

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

Project description: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)°.

| S-EPMC3151942 | biostudies-literature

3-[(1H-Benzimidazol-2-yl)sulfanyl-methyl]benzonitrile.

Project description:In the title compound, C(15)H(11)N(3)S, the dihedral angle between the benzimidazole ring system and the benzene ring is 51.8?(2)°. The crystal structure exhibits inter-molecular N-H?N hydrogen bonds which lead to the formation of C(4) chains along the [001] direction.

| S-EPMC2969630 | biostudies-literature

(2-Methyl-phen-yl)(phen-yl)methanol.

Project description:In the title compound, C(14)H(14)O, the two benzene rings are almost orthogonal [dihedral angle = 87.78?(8) °]. The hy-droxy group lies approximately in the plane of its attached benzene ring [O-C-C-C torsion angle = -17.47?(17)°], and the hydroxyl and methyl groups lie to the same side of the mol-ecule and are gauche to each other. In the crystal, a hexa-meric aggregate mediated by a ring of six O-H?O hydrogen bonds occurs, generating an R(6) (6)(12) loop.

| S-EPMC3007446 | biostudies-literature

4-{2-[4-(Dimethyl-amino)phen-yl]ethyl-idene}benzonitrile.

Project description:In the crystal of the title compound, C(17)H(16)N(2), mol-ecules are linked by C-H⋯N hydrogen bonds, forming rings of graph-set motifs R(2) (1)(6) and R(2) (2)(10). The title mol-ecule is close to planar, with a dihedral angle between the aromatic rings of 0.6 (1)°. Torsion angles confirm a conformational trans structure.

| S-EPMC2969814 | biostudies-literature

4-{2-[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]thia-zol-4-yl}benzonitrile.

Project description:The asymmetric unit of the title compound, C(25)H(14)ClFN(4)S, contains two independent mol-ecules (A and B). Each mol-ecule consists of five rings, namely chloro-phenyl, fluoro-phenyl, 1H-pyrazole, thia-zole and benzonitrile. In mol-ecule A, the 1H-pyrazole ring makes dihedral angles of 52.54 (8), 35.96 (8) and 15.43 (8)° with respect to the attached chloro-phenyl, fluoro-phenyl and thia-zole rings. The corresponding values in mol-ecule B are 51.65 (8), 37.26 (8) and 8.32 (8)°. In the crystal, mol-ecules are linked into dimers by C-H⋯N hydrogen bonds, generating R(2) (2)(10) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the ab plane via inter-molecular weak C-H⋯N and C-H⋯F hydrogen bonds. The crystal structure is further stabilized by weak π-π inter-actions [with centroid-centroid distances of 3.4303 (9) and 3.6826 (9) Å] and weak C-H⋯π inter-actions.

| S-EPMC3007991 | biostudies-literature

2-{4-[5-(3-Pyrid-yl)-2H-tetra-zol-2-ylmeth-yl]phen-yl}benzonitrile.

Project description:In the title compound, C(20)H(14)N(6), there are two mol-ecules with similar conformations in the asymmetric unit. The pyridine and tetra-zole rings are nearly coplanar; they are twisted from each other by dihedral angles of only 8.7 (2) and 7.4 (2)°. The nearer benzene ring makes dihedral angles of 69.9 (2) and 88.5 (2)° with the tetra-zole ring in the two mol-ecules.

| S-EPMC2962075 | biostudies-literature

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