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1-Isopropyl-4-nitro-6-meth-oxy-1H-benzimidazole.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(11)H(13)N(3)O(3). The inter-planar angles for the two rings of the benzimidazole ring system is 2.21?(12)° in one mol-ecule and 0.72?(12)° in the other. The nitro group is twisted in the same direction relative to the least-squares plane through its attached benzene ring in both mol-ecules, with inter-planar angles of 15.22?(9) and 18.02?(8)°. In the crystal structure, mol-ecules are stacked along the a axis through ?-? inter-actions (centroid-centroid distance 4.1954?Å). C-H?O hydrogen bonds are also present.

SUBMITTER: Moore MD

PROVIDER: S-EPMC2961682 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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1-Isopropyl-4-nitro-6-meth-oxy-1H-benzimidazole.

Moore Michael D MD Jain Prashi P Flaherty Patrick T PT Wildfong Peter L D PL

Acta crystallographica. Section E, Structure reports online 20080625 Pt 7

There are two independent mol-ecules in the asymmetric unit of the title compound, C(11)H(13)N(3)O(3). The inter-planar angles for the two rings of the benzimidazole ring system is 2.21 (12)° in one mol-ecule and 0.72 (12)° in the other. The nitro group is twisted in the same direction relative to the least-squares plane through its attached benzene ring in both mol-ecules, with inter-planar angles of 15.22 (9) and 18.02 (8)°. In the crystal structure, mol-ecules are stacked along the a axis thr ...[more]

PMID: 21202960

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