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

ABSTRACT: 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.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3343933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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].

| S-EPMC2983685 | biostudies-literature

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].

| S-EPMC3344152 | biostudies-literature

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.

| S-EPMC2977841 | biostudies-literature

Ethyl 4-[3-(1H-imidazol-1-yl)propyl-amino]-3-nitro-benzoate.

Project description:In the title compound, C(15)H(18)N(4)O(4), the 1H-imidazole ring forms a dihedral angle of 67.12?(8)° with the benzene ring. An S(6) ring motif is formed via an intra-molecular N-H?O hydrogen bond. In the crystal, neighbouring mol-ecules are linked by a pair of inter-molecular N-H?N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C-H?O hydrogen bonds, leading to the formation of chain along [021]. A C-H?? inter-action involving the centroid of the benzene ring is also observed between the chains.

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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.

| S-EPMC2983319 | biostudies-literature

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].

| S-EPMC2968038 | biostudies-literature

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.

| S-EPMC3435813 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(2-fluoro-benzo-yl)ethyl 4-methyl-benzoate.

Project description:In the crystal structure of the title compound, C(23)H(18)FN(3)O(3), inter-molecular C-H?N hydrogen bonds link the mol-ecules into chains extended along the c axis. The packing is further stabilized by weak C-H?O and C-H?F inter-actions. The F atom is disordered over two equally occupied 1- and 5-positions of the benzene ring.

| S-EPMC2977322 | biostudies-literature

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

Project description: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)°.

| S-EPMC3684924 | biostudies-literature

Ethyl 4-fluoro-3-nitro-benzoate.

Project description:In the title compound, C(9)H(8)FNO(4), C-H?O inter-molecular inter-actions form dimers with R(2) (2)(10) motifs. These dimers are arranged into chains parallel to the b axis and the chains are stacked down the c axis.

| S-EPMC2968581 | biostudies-literature

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