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

ABSTRACT: 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.

SUBMITTER: Xu XB

PROVIDER: S-EPMC2924195 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

| S-EPMC2914985 | biostudies-literature

1,1'-[1,4-Phenyl-enebis(methyl-ene)]bis-(2-methyl-1H-imidazol-3-ium) 2,4-dicarb-oxy-benzene-1,5-dicarboxyl-ate monohydrate.

Project description:In the dication of the title compound, C(16)H(20)N(4) (2+)·C(10)H(4)O(8) (2-)·H(2)O, the dihedral angles formed by mean planes of the imidazolium rings and the benzene ring are 69.05?(18) and 89.1?(2)°. In the crystal, the components are linked into a three-dimensional network by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC3151773 | biostudies-literature

1,1'-[(5-Hy-droxy-methyl-1,3-phenyl-ene)bis-(methyl-ene)]dipyridin-4(1H)-one monohydrate.

Project description:The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol-ecule plus a water mol-ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 83.65 (8)°]. The C-O bond of the hy-droxy group subtends an angle of 31.71 (10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O-H⋯O hydrogen-bonding inter-actions and while the water mol-ecules form a C(2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy-droxy groups are engaged in O-H⋯O=C hydrogen bonds described by a C(1) (1)(12) graph-set motif which runs parallel to the a axis.

| S-EPMC3152136 | biostudies-literature

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

4-[(Z)-Allyl-amino-(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52?(10) and 77.73?(5)° with the two phenyl rings and an intra-molecular N-H?O hydrogen bond occurs. A weak inter-molecular C-H?O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533?(5) and 0.467?(5).

| S-EPMC2979603 | biostudies-literature

3-Allyl-1-methyl-1H-benzotriazol-3-ium iodide.

Project description:In the crystal structure of 1-methyl-3-allyl benzotriazolium iodide, C(10)H(12)N(3) (+)·I(-), centrosymmetric dimers of coplanar cations are π-stacked with an inter-planar distance of 3.453 (6) Å. The iodide anions are situated above and below the formally positive charged triazolium rings.

| S-EPMC3435747 | biostudies-literature

2-Amino-1H-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenyl-butan-2-ide.

Project description:In the title compound, C(7)H(8)N(3) (+)·C(10)H(6)F(3)O(2) (-), 1H-benzoimidazol-2-amine system adopts a planar conformation with an r.m.s. deviation of 0.0174 Å. The cation and anion in the asymmetric unit are linked by N-H⋯O hydrogen bonds. There are also additional inter-molecular N-H⋯O hydrogen bonds and π-π stacking inter-actions between the phenyl rings of neighbouring anions with centroid-centroid distances of 4.0976 (13) Å.

| S-EPMC2959878 | biostudies-literature

N'-(2-Methyl-3-phenyl-allyl-idene)nicotinohydrazide monohydrate.

Project description:The asymmetric unit of the title compound, C(16)H(15)N(3)O·H(2)O, contains an N'-(2-methyl-3-phenyl-allyl-idene)nicotino-hydra-zide mol-ecule and a water solvent mol-ecule. The dihedral angle between the pyridine ring and the phenyl ring is 47.26?(5)°. Inter-molecular O-H?N, O-H?O, N-H?O and C-H?O hydrogen bonds are found in the crystal structure. Furthermore, C-H?? inter-actions involving the pyridine and phenyl rings are also found.

| S-EPMC2969494 | 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

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-1H-benzimidazol-1-ium) bis-(hexa-flourophosphate).

Project description:In the title compound, C(26)H(28)N(4) (2+)·2PF(6) (-), the complete cation is generated by a crystallographic twofold axis. The benz-imidazole ring is almost planar (r.m.s. deviation = 0.0207?Å) and makes dihedral angles of 50.12?(2)° with its symmetry-related component and 65.81?(2)° with the central benzene ring. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?F inter-actions. A ?-? inter-action with a centroid-centroid distance of 3.530?(1)?Å is observed. Four F atoms of the hexa-fluoro-phosphate anion are disordered over two sets of sites in a 0.889?(6):0.111?(6) ratio.

| S-EPMC3379238 | biostudies-literature

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