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

ABSTRACT: 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.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3435813 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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

Yousuf Sammer S Zeb Aurang A Batool Farhana F Basha Fatima Z FZ

Acta crystallographica. Section E, Structure reports online 20120825 Pt 9

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. ...[more]

PMID: 22969659

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