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Methyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

ABSTRACT: In the crystal of the title compound, C7H9N3O4, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along the a-axis direction. The dihedral angle between the ring and the nitro group is 3.03 (6), while that between the ring and the acetate group is 85.01 (3)°.

SUBMITTER: Zama S

PROVIDER: S-EPMC3684924 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

Project description:In the title compound, C(8)H(11)N(3)O(4), the dihedral angle between the imidazole ring and the ethyl acetate plane is 103.1 (8)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

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1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate.

Project description:In the title compound, C9H13N3O4, an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro-imidazole mean plane (r.m.s. deviation = 0.028 Å) and the pendant acetate group is 43.17 (11)°. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R 2 (2)(10) loops and further C-H⋯O hydrogen bonds link the dimers into [100] chains. Weak aromatic π-π stacking inter-actions with a centroid-centroid distance of 3.7623 (11) Å are also observed.

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1-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetone.

Project description:In the mol-ecule of the title compound, C7H9N3O3, the nitro and carbonyl groups are tilted with respect to the imidazole ring by 9.16 (6) and 65.47 (7)°, respectively. Neighbouring chains are linked via C-H⋯N and C-H⋯O hydrogen bonds forming two-dimensional slab-like networks lying parallel to (01-1).

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-nitro-benzoate.

Project description:In the title compound, C(13)H(12)N(4)O(6), the mean plane through the nitro-benzene forms a dihedral angle of 37.38?(15)° with the plane through the imidazole ring. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?N inter-actions together with ?-? stacking inter-actions between nitro-benzene rings [centroid-centroid distance = 3.788?(3)?Å] and between imidazole rings [centroid-centroid distance = 3.590?(2)?Å].

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl N-methyl-carbamate.

Project description:In the title compound, C(8)H(12)N(4)O(4), the essentially planar methyl-carbamoyloxymethyl group [maximum deviation 0.038?(3)?Å] and the imidazole ring make a dihedral angle of 48.47?(3)°. The crystal packing is stabilized by inter-molecular N-H?N and C-H?O hydrogen bonds, which link the mol-ecules into infinite ribbons running along the a axis, and by weak ?-? stacking inter-actions [centroid-centroid distance = 3.894?(2)?Å].

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl methane-sulfonate.

Project description:The asymmetric unit of the title compound, C(7)H(11)N(3)O(5)S, contains two independent mol-ecules with virtually identical conformations. The imidazole rings of both mol-ecules are essentially planar (r.m.s. deviations = 0.0019 and 0.0038 Å), with a dihedral angle 9.25 (19)° between them. The nitro groups are oriented at 4.5 (2) and 6.44 (13)° with respect to the imidazole rings. In the crystal, mol-ecules are linked to form a three-dimensional framework by C-H⋯O and C-H⋯N hydrogen bonds.

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromo-benzoate.

Project description:In the title compound, C(13)H(12)BrN(3)O(4), the dihedral angle between the benzene and imidazole rings is 30.6?(2)°. In the crystal, mol-ecules are linked into chains parallel to [001] by C-H?O hydrogen bonds. The crystal packing is further consolidated by ?-? inter-actions [centroid-centroid distance = 3.482?(2)?Å].

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluoro-benzoate.

Project description:In the title compound, C(13)H(12)FN(3)O(4), the dihedral angle between the benzene and imidazole rings is 32.77 (12)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds.

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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromo-benzoate.

Project description:The mol-ecule of the title compound, C(13)H(12)BrN(3)O(4), is non-planar, as indicated in the dihedral angle of 59.5 (4)° formed between the least-squares planes through the imidazole and benzene rings. In the crystal, mol-ecules are connected via C-H⋯O contacts, forming a supra-molecular chain.

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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.

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