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2-Methyl-5-nitro-1H-benzimidazole monohydrate.

ABSTRACT: In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol-ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137?(1)?Å. The crystal structure is stabilized by water mol-ecules via N-H?O(water), O(water)-H?O and O(water)-H?N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter-molecular contact between the benzene and imidazole rings, with a centroid-centroid distance of 3.6419?(10)?Å, indicates a ?-? inter-action.

SUBMITTER: Ghalib RM

PROVIDER: S-EPMC3120310 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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2-Methyl-5-nitro-1H-benzimidazole monohydrate.

Ghalib Raza Murad RM Hashim Rokiah R Sulaiman Othman O Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol-ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol-ecules via N-H⋯O(water), O(water)-H⋯O and O(water)-H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter-molecular contact between the benzene and imidazole rings, with a centroid-centroid distance of 3.6419 (10) Å, indicates a π-π int ...[more]

PMID: 21754885

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