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

ABSTRACT: 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].

SUBMITTER: Khan SB 

PROVIDER: S-EPMC2983685 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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

Khan Sher Bahadar SB   Anis Itrat I   Singh Kuldip K   Shah Muhammad Raza MR  

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

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 π-π 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]. ...[more]

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