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

Ghalib RM, Hashim R, Sulaiman O, Quah CK, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2011)

Bottom Line: 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.

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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.

No MeSH data available.


The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
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Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.


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

Ghalib RM, Hashim R, Sulaiman O, Quah CK, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2011)

The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3120310&req=5

Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.