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4-Isopropyl-amino-3-nitro-benzonitrile.

ABSTRACT: In the title compound, C(10)H(11)N(3)O(2), the nitro group is essentially coplanar with the aromatic ring [dihedral angle = 3.4?(3)°] and forms an intra-molecular N-H?O hydrogen bond with the amine group. In the crystal, weak aromatic C-H?O and C-H?N hydrogen bonds link the mol-ecules. Weak aromatic ring ?-? inter-actions [minimum ring centroid-centroid separation = 3.9841?(16)?Å] are also present.

SUBMITTER: Jia HS

PROVIDER: S-EPMC3254521 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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4-Isopropyl-amino-3-nitro-benzonitrile.

Jia Hong-Sheng HS

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(10)H(11)N(3)O(2), the nitro group is essentially coplanar with the aromatic ring [dihedral angle = 3.4 (3)°] and forms an intra-molecular N-H⋯O hydrogen bond with the amine group. In the crystal, weak aromatic C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. Weak aromatic ring π-π inter-actions [minimum ring centroid-centroid separation = 3.9841 (16) Å] are also present. ...[more]

PMID: 22259467

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