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Crystal structure of (E)-1-methyl-2-[2-(2-methoxphen-yl)ethen-yl]-4-nitro-1H-imidazole.

ABSTRACT: In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphen-yl)ethenyl unit is connected to the methyl-nitro-imidazole 1-methyl-4-nitro-1H-imidazole moiety. The mol-ecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by inter-molecular C-H⋯O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π-π stacking inter-actions are observed, viz. benzene-benzene, imidazole-imidazole and benzene-imidazole rings, with centroid-centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

SUBMITTER: Alliouche H

PROVIDER: S-EPMC4186069 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-1-methyl-2-[2-(2-methoxphen-yl)ethen-yl]-4-nitro-1H-imidazole.

Alliouche Hayette H Bouraiou Abdelmalek A Bouacida Sofiane S Merazig Hocine H Belfaitah Ali A

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphen-yl)ethenyl unit is connected to the methyl-nitro-imidazole 1-methyl-4-nitro-1H-imidazole moiety. The mol-ecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by inter-molecular C-H⋯O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong ...[more]

PMID: 25309283

Similar Datasets

Crystal structure of 1-methyl-2-[(E)-2-(4-methyl-phen-yl)ethen-yl]-4-nitro-1H-imidazole.

Project description:In the title mol-ecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, mol-ecules are linked by weak C-H⋯N and C-H⋯O hydrogen bonds, forming layers parallel to (100). A weak C-H⋯π inter-action connects these layers into a three-dimensional network. A π-π stacking inter-action, with a centroid-centroid distance of 3.5373 (9) Å, is also observed.

| S-EPMC4186084 | biostudies-literature

Crystal structure of 4,5-di-nitro-1H-imidazole.

Project description:The title compound, C3H2N4O4, forms crystals with two mol-ecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the mol-ecules are essentially planar. In the crystal, adjacent mol-ecules are associated by N-H⋯N hydrogen bonds involving the imidazole N-H donors and N-atom acceptors of the unsaturated nitro-gen of neighboring rings, forming layers parallel to (010).

| S-EPMC4555365 | biostudies-literature

Crystal structure of 3-(4-methyl-phen-yl)-1-phenyl-5-[(E)-2-phenyl-ethen-yl]-1H-pyrazole.

Project description:In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenyl-ethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively. In the crystal, inversion dimers linked by a π-π stacking inter-actions between the phenyl-ethenyl rings are observed [centroid-centroid separation = 3.5857 (9) Å].

| S-EPMC4719956 | biostudies-literature

1-Methyl-5-nitro-1H-imidazole.

Project description:In the title compound, C(4)H(5)N(3)O(2), the nitro group is twisted with respect to the imidazole ring by a dihedral angle of 5.60 (2)°. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonding is present in the crystal structure.

| S-EPMC3247462 | biostudies-literature

Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)meth-yl]pyridinium iodide.

Project description:In the title salt, C10H11N4O2 (+)·I(-), the asymmetric unit consists of a pyridinium cation bearning a (1-methyl-5-nitro-1H-imidazol-2-yl)methyl group at the N position and an iodide anion. The imidazole ring is quasiplanar, with a maxiumum deviation of 0.0032 (16) Å, and forms a dihedral angle of 67.39 (6)° with the plane of the pyridinium ring. The crystal packing can be described as alternating zigzag layers of cations parallel to the (001) plane, which are sandwiched by the iodide ions. The structure features two types of hydrogen bonds (C-H⋯O and C-H⋯I), viz. cation-anion and cation-cation, which lead to the form ation of a three-dimensional network.

| S-EPMC4384567 | biostudies-literature

1-(3-Chloro-phen-yl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide.

Project description:In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H⋯N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H⋯O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069 (9) Å] and phenyl rings are inclined at a dihedral angle of 58.44 (6)°; the nitro group is almost coplanar [dihedral angle 5.8 (2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15 (13)°] to it.

| S-EPMC3201265 | biostudies-literature

Crystal structure of bis-[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetra-fluorido-borate methanol monosolvate.

Project description:1-(2-Hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole (metronidazole, MET) is a medication that is used to treat infections by a variety of anaerobic organisms, but there are relatively few reports of the structures of metal compounds that exhibit coordination of metronidazole. We have demonstrated that MET reacts with AgBF4 to give [Ag(MET)2]BF4·CH3OH, in which the Ag(I) cation is coordinated by two MET ligands with a trans arrangement. The structure of [Ag(MET)2]BF4 exhibits some inter-esting differences from its nitrate counterpart, [Ag(MET)2]NO3 [Fun et al. (2008). Acta Cryst. E64, m668]. For instance, although the two MET ligands of both [Ag(MET)2]BF4 and [Ag(MET)2]NO3 are almost coplanar, the former compound has an anti-like geometry with a mol-ecular inversion center, but the latter has a syn-like arrangement. In the crystal, the BF4 (-) anion is linked by an O-H⋯F hydrogen bond to the methanol solvent molecule, which is, in turn, linked to the cation by an O-H⋯O hydrogen bond; the components of the structure are linked by O-H⋯O hydrogen bonds, forming chains along [001]. One of the MET ligands and the BF4 (-) anion are disordered over two sets of sites with ratios of refined occupancies 0.501 (17):0.499 (17) and 0.539 (19):0.461 (19), respectively.

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Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl-oxy]carbon-yl}benzoic acid.

Project description:In the title compound, C15H15N3O6, the dihedral angle between the planes of the benzene and imidazole rings is 34.93 (10)°. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into chains parallel to the c axis.

| S-EPMC4257427 | biostudies-literature

Crystal structure of 3-chloro-1-methyl-5-nitro-1H-indazole.

Project description:The mol-ecule of the title compound, C8H6ClN3O2, is built up from fused five- and six-membered rings connected to a chlorine atom and to nitro and methyl groups. The indazole system is essentially planar with the largest deviation from the mean plane being 0.007 (2) Å. No classical hydrogen bonds are observed in the structure. Two mol-ecules form a dimer organised by a symmetry centre via a close contact between a nitro-O atom and the chlorine atom [at 3.066 (2) Å this is shorter than the sum of their van der Waals radii].

| S-EPMC4645045 | biostudies-literature

Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitro-phen-yl)triaz-2-en-1-yl-idene]-2,3-di-hydro-1H-imidazole.

Project description:The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the -N=N- bond and have slightly twisted overall conformations. In mol-ecule A, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in mol-ecule B the two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent mol-ecules are linked to each other by C-H⋯O hydrogen bonds, forming -A-A-A- and -B-B-B- chains along [100]. The chains are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C-H⋯N hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.5243 (5) Å; involving the imidazole ring of mol-ecule A and the benzene ring of mol-ecule B], forming a three-dimensional framework structure.

| S-EPMC4257158 | biostudies-literature

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