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6-Nitro-2,3-dihydro-1H-pyrrolo-[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione.

ABSTRACT: In the two mol-ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47?(10) and 54.69?(9)° with the benzene ring of the benzodiazepine unit in the two mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.8023?(7)-3.8946?(7)?Å] lead to the formation of a three-dimensional framework.

SUBMITTER: Jebani A

PROVIDER: S-EPMC3213458 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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6-Nitro-2,3-dihydro-1H-pyrrolo-[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione.

Jebani Abdessamad A Zouihri Hafid H El Hakmaoui Ahmed A Lazar Saïd S Akssira Mohamed M

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

In the two mol-ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47 (10) and 54.69 (9)° with the benzene ring of the benzodiazepine unit in the two mol-ecules. In the crystal, inter-molecular N-H⋯O hydrogen bonds and π-π stacking ...[more]

PMID: 22091037

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