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3-Allyl-1-(2-cyano-benz-yl)-2-methyl-benzimidazol-3-ium bromide.

ABSTRACT: In the title compound, C(19)H(18)N(3) (+)·Br(-), both the allyl and cyano-phenyl groups are approximately perpendicular to the central benzimidazole unit, making dihedral angles of 89.7 (2) and 85.09 (13)°, respectively. The crystal packing is dominated by C-H⋯Br inter-actions, with each anion inter-acting with five neighboring cations.

SUBMITTER: Xu XB

PROVIDER: S-EPMC2914985 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-bis-(4-methyl-benz-yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate.

Project description:In the title hydrated symetrically substituted 1,3-bis-(4-methyl-benz-yl)benzimidazolium salt, C23H23N2 (+)·Br(-)·H2O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol-ecule by a short C-H⋯O hydrogen bond and the water mol-ecule forms O-H⋯Br hydrogen bonds. Together, these inter-actions lead to [010] chains. The packing is consolidated by C-H⋯Br hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network.

| S-EPMC4331869 | biostudies-literature

1-(4-Cyano-benz-yl)-4-methyl-pyridinium bromide.

Project description:In the title compound, C(14)H(13)N(2) (+)·Br(-), the 1-(4-cyano-benz-yl)-4-methyl-pyridinium cation has a ?-shaped conformation, and the dihedral angle between the benzene and pyridinium rings is 75.8?(2)°. In the crystal, two cations form a dimer through ?-? inter-actions between pyridine rings [the centroid-centroid distance is 3.685?(1)?Å].

| S-EPMC2969263 | biostudies-literature

2-(4-Methyl-sulfanylphen-yl)-1H-benzimidazol-3-ium bromide.

Project description:In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(-), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 Å) is substituted with a 4-methyl-sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl-sulfanylphenyl ring is 2.133 (2)°. The crystal structure is characterized by strong and highly directional inter-molecular N-H⋯Br hydrogen bonds involving the bromide ion. Moreover, C-H⋯S inter-actions result in chains of mol-ecules along the c axis. The supra-molecular assembly is further stabilized by π-π stacking inter-actions between the benzimidazole system and 4-methyl-sulfanylphenyl rings [centroid-centroid distance = 3.477 (4) Å].

| S-EPMC3051663 | biostudies-literature

3-Allyl-1-(3-cyano-phenyl-methyl-ene)-2-methyl-1H-benzoimidazol-3-ium bromide monohydrate.

Project description:In the title compound, C(19)H(18)N(3) (+)·Br(-)·H(2)O, the dihedral angle between the allyl group and the imidazole ring is 89.59 (14)°, while the dihedral angle between the cyanophenyl ring and the imidazole ring is 78.72 (7)°. O-H⋯Br hydrogen bonds form an infinite chain in the c-axis direction and C-H⋯Br and C-H⋯O inter-actions expand this chain into an infinite three-dimensional network.

| S-EPMC2924195 | biostudies-literature

3-(2-Bromo-benz-yl)-1-methyl-1H-imidazol-3-ium bromide.

Project description:In the title compound, C(11)H(12)BrN(2) (+)·Br(-), the imidazole and phenyl rings are nearly perpendicular, making a dihedral angle of 87.71?(7)°. The crystal structure is stabilized by non-classical inter-molecular C-H?Br hydrogen bonds and inversion-related mol-ecules are linked through ?-? inter-actions between the imidazole ring systems [centroid-centroid distance = 3.472?(6)?Å].

| S-EPMC3152033 | biostudies-literature

1,3-Bis(2-cyano-benz-yl)imidazolium bromide.

Project description:In the title salt, C(19)H(15)N(4) (+)·Br(-), the central imidazole ring makes dihedral angles of 83.1 (2) and 87.6 (2)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 6.77 (19)°; the cyanide substituents have an anti orientation. In the crystal, the cations and anions are linked via C-H⋯N and C-H⋯Br hydrogen bonds, forming sheets lying parallel to the ac plane.

| S-EPMC3239090 | biostudies-literature

3-(3-Cyano-benz-yl)-1-methyl-1H-imidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title compound, C(12)H(12)N(3) (+)·PF(6) (-), the hexa-fluoro-phosphate anion is disordered over two orientations with refined site occupancies of 0.8071?(17) and 0.1929?(17). The dihedral angle between the imidazole and benzene rings in the cation is 71.26?(7)°. In the crystal, the cations and anions are linked by C-H?F and C-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3275236 | biostudies-literature

4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile.

Project description:In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three inter-molecular C-H⋯N inter-actions link neighbouring mol-ecules into different dimers with R(2) (2)(12), R(2) (2)(8) and R(2) (2)(24) ring motifs. A fourth C-H⋯N inter-action links neighbouring mol-ecules along the c axis. There is also a short inter-molecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) Å], which links the mol-ecules along the a axis. The two cyano-benzene rings are almost perpendicular to each other, with an inter-planar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, mol-ecules are stacked down the a axis with centroid-centroid distances of 3.906 (2)-3.912 (2) Å and inter-planar distances of 3.5040 (17) and 3.6235 (17) Å.

| S-EPMC2969064 | biostudies-literature

4-Allyl-morpholin-4-ium bromide.

Project description:The title compound, C(7)H(14)NO(+)·Br(-), was formed by reaction of 4-allyl-morpholine and hydrogen bromide. In the crystal, mol-ecules are connected via N-H?Br and C-H?Br hydrogen bonds, forming a three-dimensional network.

| S-EPMC3344043 | biostudies-literature

1-(4-Methyl-benz-yl)-1H-benzimidazol-2(3H)-one.

Project description:In the title compound, C15H14N2O, the fused five- and six-membered ring system is essentially planar, the maximum deviation from the mean plane being 0.009?(1)?Å. The benzimidazol-2(3H)-one residue is nearly perpendicular to the benzyl ring, forming a dihedral angle of 77.41?(6)°. In the crystal, inversion dimers are formed by pairs of N-H?O hydrogen bonds; these dimers are linked by weak C-H?O inter-actions into a two-dimensional array in the (102) plane.

| S-EPMC3588251 | biostudies-literature

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