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

Published Date

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1523-4. doi: 10.1107/S1600536811019027. Epub 2011 May 25.

Title 

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

Author 

Ghalib RM, Hashim R, Sulaiman O, Quah CK, Fun HK.

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 π-π inter-action.

PMID:

 

21754885

 

PMCID:

 

PMC3120310

 

DOI:

 

10.1107/S1600536811019027

PMC full text:

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1; 67(Pt 6): o1523–o1524.  Published online 2011 May 25. doi:  10.1107/S1600536811019027 Copyright/License ►Request permission to reuse

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Fig. 1.

The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.

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PMC full text:

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1; 67(Pt 6): o1523–o1524.  Published online 2011 May 25. doi:  10.1107/S1600536811019027 Copyright/License ►Request permission to reuse

<< PrevFig. 2.Next >>

Fig. 2.

The crystal structure of the title compound, viewed along the a axis. H atoms not involved in hydrogen bonds (dashed lines) have been omitted for clarity.

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http://www.ncbi.nlm.nih.gov/pubmed/21754885