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

ABSTRACT: 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].

SUBMITTER: Duan GY

PROVIDER: S-EPMC2968038 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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

Duan Gui-Yun GY Xia Cheng-Cai CC Xiao Yu-Liang YL

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

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 π-π stacking inter-actions [centroid-centroid distance = 3.894 (2) Å]. ...[more]

PMID: 21581578

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