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N-(5-Nitro-pyridin-2-yl)-5H-dibenzo[d,f][1,3]diazepine-6-carboxamide.

ABSTRACT: The title compound, C(19)H(13)N(5)O(3), can be obtained from the corresponding ?-amido-?-amino-nitrone in a reaction with biphenyl-2,2'-diamine. The amido-amidine core has distinctive geometrical parameters including: an outstandingly long Csp(2)-Csp(2) single bond of 1.5276?(13)?Å and an amidine N-C-N angle of 130.55?(9)°. Intra-molecular N-H?O, N-H?N and C-H?O hydrogen bonds occur. In the crystal, mol-ecules form layers parallel to (001) via weak inter-molecular C-H?N inter-actions. The layers are linked via N-H?O hydrogen bonds and ?-? inter-actions along [001] [benzene-pyridine centroid-centroid distance = 3.672?(2)?Å].

SUBMITTER: Seidler T

PROVIDER: S-EPMC3120606 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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N-(5-Nitro-pyridin-2-yl)-5H-dibenzo[d,f][1,3]diazepine-6-carboxamide.

Seidler Tomasz T Gryl Marlena M Trzewik Bartosz B Stadnicka Katarzyna K

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

The title compound, C(19)H(13)N(5)O(3), can be obtained from the corresponding α-amido-α-amino-nitrone in a reaction with biphenyl-2,2'-diamine. The amido-amidine core has distinctive geometrical parameters including: an outstandingly long Csp(2)-Csp(2) single bond of 1.5276 (13) Å and an amidine N-C-N angle of 130.55 (9)°. Intra-molecular N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules form layers parallel to (001) via weak inter-molecular C-H⋯N inter-actions. The layers ...[more]

PMID: 21754873

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