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4-Cyclo-butyl-amino-3-nitro-benzoic acid.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains two crystallographically independent mol-ecules with similar geometries. Both mol-ecules contain an intra-molecular N-H?O hydrogen bond. The dihedral angles between the benzene ring and the mean plane of the cyclo-butane ring are 38.29?(7) and 57.04?(8)° in the two mol-ecules, and the nitro group is twisted slightly away from the plane of the benzene ring [dihedral angles = 9.15?(12) and 9.55?(12)° in the two mol-ecules]. In the crystal, the independent mol-ecules are linked into dimers by O-H?O hydrogen bonds between their carboxyl groups, and C-H?O and C-H?? inter-actions are formed between dimers.

SUBMITTER: Narendra Babu SN

PROVIDER: S-EPMC2969240 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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4-Cyclo-butyl-amino-3-nitro-benzoic acid.

Narendra Babu Shivanagere Nagojappa SN Abdul Rahim Aisyah Saad AS Osman Hasnah H Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains two crystallographically independent mol-ecules with similar geometries. Both mol-ecules contain an intra-molecular N-H⋯O hydrogen bond. The dihedral angles between the benzene ring and the mean plane of the cyclo-butane ring are 38.29 (7) and 57.04 (8)° in the two mol-ecules, and the nitro group is twisted slightly away from the plane of the benzene ring [dihedral angles = 9.15 (12) and 9.55 (12)° in the two mol-ecules]. In ...[more]

PMID: 21582847

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4-Butyl-amino-3-nitro-benzoic acid.

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Isolation of 3-amino-4-nitro-benzyl acetate: evidence of an undisclosed impurity in 5-amino-2-nitro-benzoic acid.

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