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3-Nitro-4-(propyl-amino)-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 = 1.3 (3)°] and forms an intra-molecular amine-nitro N-H⋯O hydrogen bond. In the crystal, weak inter-molecular aromatic C-H⋯O(nitro) hydrogen bonds link the mol-ecules. Weak aromatic ring π-π inter-actions [minimum ring centroid separation = 3.7744 (13) Å] are also present.

SUBMITTER: Liu SL

PROVIDER: S-EPMC3238940 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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3-Nitro-4-(propyl-amino)-benzonitrile.

Liu Shang-Lian SL Jia Hong-Sheng HS

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

In the title compound, C(10)H(11)N(3)O(2), the nitro group is essentially coplanar with the aromatic ring [dihedral angle = 1.3 (3)°] and forms an intra-molecular amine-nitro N-H⋯O hydrogen bond. In the crystal, weak inter-molecular aromatic C-H⋯O(nitro) hydrogen bonds link the mol-ecules. Weak aromatic ring π-π inter-actions [minimum ring centroid separation = 3.7744 (13) Å] are also present. ...[more]

PMID: 22199789

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