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1-Allyl-5-nitro-1H-benzimidazol-2(3H)-one.

ABSTRACT: The benzimidazolone residue in the title mol-ecule, C10H9N3O3, is almost planar, with the largest deviation from the mean plane being 0.016?(2)?Å for the C atom linked to the nitro group. This plane is nearly perpendicular to the 1-allyl chain as indicated by the C-N-C-C torsion angle of 90.9?(3)°. The fused-ring system makes a dihedral angle of 5.6?(3)° with the nitro group, leading to a synperiplanar conformation. In the crystal, zigzag supra-molecular chains are formed along the a axis by N-H?O hydrogen bonds.

SUBMITTER: Ouzidan Y

PROVIDER: S-EPMC3588436 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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1-Allyl-5-nitro-1H-benzimidazol-2(3H)-one.

Ouzidan Younès Y Kandri Rodi Youssef Y Kandri Rodi Adiba A Essassi El Mokhtar el M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20130223 Pt 3

The benzimidazolone residue in the title mol-ecule, C10H9N3O3, is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å for the C atom linked to the nitro group. This plane is nearly perpendicular to the 1-allyl chain as indicated by the C-N-C-C torsion angle of 90.9 (3)°. The fused-ring system makes a dihedral angle of 5.6 (3)° with the nitro group, leading to a synperiplanar conformation. In the crystal, zigzag supra-molecular chains are formed along the a axis by N-H ...[more]

PMID: 23476602

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1-Allyl-1H-1,3-benzimidazol-2(3H)-one.

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